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• Benzenamine, 4-(4-Thiomorpholinyl)-
IUPAC Name: 4-thiomorpholin-4-ylaniline | CAS Registry Number: 22589-35-1
Synonyms: 4-Thiomorpholinoaniline, AG-E-64598, 4-(THIOMORPHOLIN-4-YL)PHENYLAMINE, 4-thiomorpholin-4-ylaniline, 4-thiomorpholinobenzenamine, SureCN3035197, 4-(thiomorpholin-4-yl)aniline, CTK4E9778, MolPort-006-020-752, Benzenamine,4-(4-thiomorpholinyl)-, RW3430, AKOS008113425, MCULE-4368562407, QC-3108, AK121874, KB-40492, EN300-85029, A00274, A816273, I01-9377

Molecular Formula: C10H14N2SMolecular Weight: 194.296560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RQXQMUUSQGCLPL-UHFFFAOYSA-N

• Boc-(+/-)-Cis-3-Aminocyclohexane-1-Carboxylic Acid
IUPAC Name: (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 222530-33-8
Synonyms: (1R,3S)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, cis-3-(Boc-amino)cyclohexanecarboxylic acid, 222530-39-4, BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID, 222530-34-9, PubChem18328, SureCN554988, cis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, 80393_ALDRICH, BOC-1,3-CIS-ACHC-OH, 80393_FLUKA, CTK0J9713, MolPort-003-939-123, ANW-24793, AKOS015904352, AG-E-62643, PB24737, AK-38060, AK110275, KB-00455

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JSGHMGKJNZTKGF-BDAKNGLRSA-N

• Boc-3-fluoro-L-Phe
IUPAC Name: (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 114873-01-7
Synonyms: Boc-Phe(3-F)-OH, Boc-L-3-Fluorophenylalanine, Boc-3-fluoro-L-phenylalanine, 14996_FLUKA, BL013-1, ST5307426

Molecular Formula: C14H18FNO4Molecular Weight: 283.295423 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FPCCREICRYPTTL-NSHDSACASA-N

• Boc-D-4-Bromophenylalanine
IUPAC Name: (2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 79561-82-3
Synonyms: ZINC02560864, ZINC02562492, CID7020326

Molecular Formula: C14H17BrNO4-Molecular Weight: 343.193080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ULNOXUAEIPUJMK-LLVKDONJSA-M

• Boc-D-4-Chlorophenylalanine
IUPAC Name: (2R)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 57292-44-1
Synonyms: ZINC02555043, TL8003690, (2R)-2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoate

Molecular Formula: C14H17ClNO4-Molecular Weight: 298.742080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BETBOAZCLSJOBQ-LLVKDONJSA-M

• BOC-D-Phenylalanine
IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate | CAS Registry Number: 18942-49-9
Synonyms: ZINC01703144, ZINC02169836, CID1810766

Molecular Formula: C14H18NO4-Molecular Weight: 264.297020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZYJPUMXJBDHSIF-LLVKDONJSA-M

• Boc-L-2-fluorophenylalanine
IUPAC Name: (2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 114873-00-6
Synonyms: Boc-Phe(2-F)-OH, Boc-L-2-Fluorophenylalanine, Boc-2-fluoro-L-phenylalanine, 15024_FLUKA, BL007-1, A00168

Molecular Formula: C14H18FNO4Molecular Weight: 283.295423 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NTWUXBKUDXGMHV-NSHDSACASA-N

• Boc-L-3-(2-Naphthyl)-alanine
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid | CAS Registry Number: 58438-04-3
Synonyms: Boc-2-Nal-OH, Boc-L-2-Naphthylalanine, Boc-3-(2-naphthyl)-L-alanine, 15483_FLUKA, BL121-1, ST5307430, TL8006570

Molecular Formula: C18H21NO4Molecular Weight: 315.363640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: URKWHOVNPHQQTM-HNNXBMFYSA-N

• Boc-L-3-Chlorophenylalanine
IUPAC Name: (2R)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 80102-25-6
Synonyms: Boc-3-chloro-D-phenylalanine, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-chlorophenyl)propanoic acid, Boc-D-phe(3-Cl)-OH, Boc-L-phe(3-Cl)-OH, (R)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, AC1ODTZV, PubChem18601, SureCN3553561, CTK7G8793, MolPort-001-758-158, ANW-74486, AKOS015836554, AG-B-16732, AM82745, AC-16810, AK-50136, KB-48201, A00170, (2R)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Molecular Formula: C14H18ClNO4Molecular Weight: 299.750020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RCZHBTHQISEPPP-LLVKDONJSA-N

• BOC-L-Aspartic acid 4-benzyl ester
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(phenylmethoxy)butanoic acid | CAS Registry Number: 7536-58-5
Synonyms: MLS000778584, STOCK4S-96853, EINECS 231-406-8, NSC118538, NSC 118538, SMR000415378, N-tert-Butoxycarbonyl-L-aspartic acid 4-benzyl ester, Aspartic acid, N-carboxy-, 4-benzyl N-tert-butyl ester, L-, t-Butyloxycarbonylaspartic acid alpha-benzyl ester, 4-Benzyl hydrogen N-(tert-butoxycarbonyl)-L-aspartate, 2-tert-Butoxycarbonylamino-succinic acid 4-benzyl ester, N-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl ester, N-tert-Butoxycarbonyl-L-aspartic acid .beta.-benzyl ester, L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester, N-((1,1-Dimethylethoxy)carbonyl)-L-aspartic acid, 4-(phenylmethyl) ester, N-[(1,1-Dimethylethoxy)carbonyl]-L-aspartic acid, 4-(phenylmethyl) ester, L-Aspartic acid, N-((1,1-dimethylethoxy)carbonyl)-, 4-(phenylmethyl) ester, 115815-47-9, 117515-23-8, 135962-85-5

Molecular Formula: C16H21NO6Molecular Weight: 323.341040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SOHLZANWVLCPHK-UHFFFAOYSA-N

• BOC-L-Phenylalaninol
IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate | CAS Registry Number: 66605-57-0
Synonyms: Boc-D-phenylalaninol, Boc-L-phenylalaninol, 421685_ALDRICH, 479594_ALDRICH, 15489_FLUKA, ZINC02554976, N-(tert-Butoxycarbonyl)-D-phenylalaninol, N-(tert-Butoxycarbonyl)-L-phenylalaninol, (R)-2-(Boc-amino)-3-phenyl-1-propanol, (S)-2-(Boc-amino)-3-phenyl-1-propanol, A00222, (R)-()-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol, (S)-(−)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol

Molecular Formula: C14H21NO3Molecular Weight: 251.321440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LDKDMDVMMCXTMO-LBPRGKRZSA-N

• Boc-N-Me-D-Phe-OH
IUPAC Name: (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 85466-66-6
Synonyms: Boc-D-Mephe-Oh, Boc-N-Me-Phe-OH, 37553-65-4, AmbotzBAA1044, AC1Q3VRH, SureCN1401042, TMA018, N-Boc-N-methyl-D-phenylalanine, CTK6H8878, MolPort-001-793-455, BOC--METHYL-D-PHENYLALANINE, ACT00025, ANW-42414, AG-B-16569, AG-H-43912, AC-19303, AK-88963, FT-0629964, FT-0635346, A00187

Molecular Formula: C15H21NO4Molecular Weight: 279.331540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AJGJINVEYVTDNH-GFCCVEGCSA-N

• Boc-Phe(3,5-DIF)-OH
IUPAC Name: (2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 205445-52-9
Synonyms: Boc-L-3,5-Difluorophenylalanine, BL530-1, A00166

Molecular Formula: C14H17F2NO4Molecular Weight: 301.285886 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CZBNUDVCRKSYDG-NSHDSACASA-N

• Boc-tranexamic Acid
IUPAC Name: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid | CAS Registry Number: 162046-58-4
Synonyms: 27687-14-5, BOC-TRANEXAMIC ACID, 4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid, trans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic Acid, trans-4-N-Boc-Aminomethyl-cyclohexanecarboxylic acid, 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylicacid, TRANS-4-(T-BUTYLOXYCARBONYLAMINOMETHYL)-CYCLOHEXANOIC ACID, trans-4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid, trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylic acid, ACMC-209gyr, AC1LEJ6Y, AC1Q5XRC, SureCN353639, SureCN353652, SureCN5006161, SureCN9885051, SureCN9885629, Oprea1_175352, Oprea1_341039, CTK0H4019

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AZEKNJGFCSHZID-UHFFFAOYSA-N

• Boc-Tyr(Et)-OH
IUPAC Name: 3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 247088-44-4
Synonyms: N-(TERT-BUTOXYCARBONYL)-O-ETHYLTYROSINE, Boc-D-Tyr(Et)-OH, ACMC-20ai6h, AC1NA3FY, SureCN3713178, CTK8G1333, 3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, AKOS005350156, FT-0687207, A00177

Molecular Formula: C16H23NO5Molecular Weight: 309.357520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NCLAAKQIHUIOIV-UHFFFAOYSA-N

• Carbamic Acid, N-(cis-4-Hydroxycyclohexyl)-, 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl N-(4-hydroxycyclohexyl)carbamate | CAS Registry Number: 167081-25-6
Synonyms: 111300-06-2, boc-trans-4-aminocyclohexanol, trans-4-Boc-aminocyclohexanol, 4-N-BOC-AMINO-CYCLOHEXANOL, trans-n-boc-4-amino-cyclohexanol, TERT-BUTYL CIS-4-HYDROXYCYCLOHEXYLCARBAMATE, trans-4-(tert-Butoxycarbonylamino)cyclohexanol, 224309-64-2, trans-4-Boc-amino-1-cyclohexanol, 4-(BOC-AMINO)CYCLOHEXANOL, (4-HYDROXY-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl (4-hydroxycyclohexyl)carbamate, trans-4-aminocyclohexanol, n-boc protected, trans-4-Boc- Aminocyclohexanol, trans-4-n-boc-aminocyclohexanol, trans-n-4-boc-aminocyclohexanol, AG-D-29566, AG-E-16453, cis-(4-Hydroxycyclohexyl)carbamic acid tert-butyl ester, N-BOC-TRANS-4-AMINOCYCLOHEXANOL

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DQARDWKWPIRJEH-UHFFFAOYSA-N

• Cbz-1-Amino-1-Cyclobutanecarboxylic Acid
IUPAC Name: 1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylate | CAS Registry Number: 190004-53-6
Synonyms: ZINC01433308

Molecular Formula: C13H14NO4-Molecular Weight: 248.254560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GDJSFBNRXFOUEQ-UHFFFAOYSA-M

• cis-1,4-Dibutyryloxy-2-butene
IUPAC Name: 4-butanoyloxybut-2-enyl butanoate | CAS Registry Number: 144967-77-1
Synonyms: 1,4-Bis(butyryloxy)-2-butene, CIS-1,4-DIBUTYRYLOXY-2-BUTENE, 1572-84-5, ACMC-20ap32, CTK8C6206, 4-butanoyloxybut-2-enyl butanoate, butanoic acid 4-(1-oxobutoxy)but-2-enyl ester, A808303

Molecular Formula: C12H20O4Molecular Weight: 228.284800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OGJKSGMVEHGEKF-UHFFFAOYSA-N

• cis-1-(tert-Butoxycarbonylamino)-4-hydroxymethylcyclohexane
IUPAC Name: tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate | CAS Registry Number: 223131-01-9
Synonyms: 239074-29-4, tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate, tert-Butyl (trans-4-(hydroxymethyl)cyclohexyl)carbamate, trans (4-hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl ester, trans-N-[4-(Hydroxymethyl)cyclohexyl]carbamic acid tert-butyl ester, tert-butyl [trans-4-(hydroxymethyl)cyclohexyl]carbamate, SCHEMBL343563, SCHEMBL344546, SCHEMBL944231, Tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate, AMCH00024, CTK8F1160, MolPort-006-665-931, MolPort-006-665-933, SGNKPJPMWHKOJO-AOOOYVTPSA-N, SGNKPJPMWHKOJO-MGCOHNPYSA-N, cis-(4-Boc-Aminocyclohexyl)methanol, AKOS005264992, AKOS015954760, AKOS024462378

Molecular Formula: C12H23NO3Molecular Weight: 229.315920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SGNKPJPMWHKOJO-UHFFFAOYSA-N

• Cis-4-(Boc-Amino)cyclohexanecarboxylic Acid
IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 53292-90-3
Synonyms: 53292-89-0, Boc-1,4-Trans-ACHC-OH, trans-4-(Boc-amino)cyclohexanecarboxylic acid, 130309-46-5, cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, Boc-trans-4-Aminocyclohexanecarboxylic acid, cis-4-(Boc-amino)cyclohexanecarboxylic acid, trans-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, AG-F-82638, trans-4-[(N-tert-butoxycarbonyl)amino]-1-cyclohexanecarboxylic acid, 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid, 4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, trans-4-(tert-butoxycarbonylamino)cyclohexanecarboxylicacid, cis-4-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid, trans 4-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, TRANS 4-([(TERT-BUTOXY)CARBONYL]AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID, ACMC-20amva, AC1MBSKA, ACMC-209l5o, ACMC-209l5p

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KXMRDHPZQHAXML-UHFFFAOYSA-N

• D-3-(3-pyridyl)-alanine
IUPAC Name: (2R)-2-amino-3-pyridin-3-ylpropanoic acid | CAS Registry Number: 70702-47-5
Synonyms: 3-(3-Pyridyl)-D-alanine, 3'-Aza-D-phenylalanine, SBB065223, (2R)-2-amino-3-(3-pyridyl)propanoic acid, (2R)-2-amino-3-(pyridin-3-yl)propanoic acid, (R)-2-Amino-3-(pyridin-3-yl)propanoic acid, 3-Aza-D-phenylalanine, 3-Aza-L-phenylalanine, 3-(Pyridin-3-yl)-D-alanine, 3-(Pyridin-3-yl)-L-alanine, 3-[(2S)-2-Amino-2-carboxyethyl]pyridine, (2R)-2-Amino-3-(pyridin-3-yl)propionic acid, AC1LOQZD, PubChem15910, D-3-PYRIDYLALANINE, SureCN208324, 3'-PYRIDYL-D-ALA, H-D-3-PAL-OH, H-D-ALA(3-PYRI)-OH, H-D-Ala(3-pyridyl)-OH?HCl

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DFZVZEMNPGABKO-SSDOTTSWSA-N

• D-4-chlorophenylalanine HCl
IUPAC Name: (2R)-2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride | CAS Registry Number: 14091-08-8
Synonyms: 4-Chloro-D-phenylalanine Hydrochloride, 147065-05-2, PubChem23298, 4-Chloro-D-Phenylalanine.HCl, Jsp002428, CTK8B0807, MolPort-005-938-079, ANW-21047, AKOS015845863, AKOS015891229, AK117090, KB-82576, I01-8982, (R)-2-Amino-3-(4-chlorophenyl)propanoic acid hydrochloride

Molecular Formula: C9H11Cl2NO2Molecular Weight: 236.095140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PFOCEDBJFKVRHU-DDWIOCJRSA-N

• D-Leucine
IUPAC Name: (2R)-2-amino-4-methylpentanoic acid | CAS Registry Number: 328-38-1
Synonyms: leucine, L-leucine, D-LEUCINE, D-Leucin, D-Leuzin, (R)-Leucine, Leucine, D-, (2S)-alpha-leucine, (R)-(-)-Leucine, 2-amino-4-methylvaleric acid, D-2-Amino-4-methylvaleric acid, 855448_ALDRICH, 61830_FLUKA, CHEBI:28225, (R)-2-Amino-4-methylpentanoic acid, SBB006736, (2R)-2-amino-4-methylpentanoic acid, NCGC00163335-01, (2S)-alpha-2-amino-4-methylvaleric acid, C01570

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ROHFNLRQFUQHCH-RXMQYKEDSA-N

• D-Phenylalanine
IUPAC Name: (2R)-2-amino-3-phenylpropanoic acid | CAS Registry Number: 673-06-3
Synonyms: D-phenylalanine, Sabiden, phenylalanine, Phenylalanine D-form, Alanine, phenyl-, D-, DL-PHNYLALANINE, Spectrum_001725, Spectrum2_001558, Spectrum4_000865, Spectrum5_001137, CCRIS 6267, D-beta-Phenyl-alpha-alanine, KBioGR_001529, KBioSS_002205, DivK1c_000453, P1751_SIGMA, SPECTRUM1503391, SPBio_001436, NCI-C60195, CHEBI:16998

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: COLNVLDHVKWLRT-MRVPVSSYSA-N

• D-Tyrosine
IUPAC Name: (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid | CAS Registry Number: 556-02-5
Synonyms: D-tyrosine, tyrosine, L-tyrosine, D-Tyrosin, (R)-3-(p-Hydroxyphenyl)alanine, 855456_ALDRICH, 3-(4-Hydroxyphenyl)-D-alanine, 93840_FLUKA, CHEBI:28479, EINECS 209-112-6, SBB012381, NCGC00142608-01, NCGC00142608-02, (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid, C06420, T-9000, (R)-2-Amino-3-(4-hydroxyphenyl)propionic acid, (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid, 60-18-4, InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13

Molecular Formula: C9H11NO3Molecular Weight: 181.188540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OUYCCCASQSFEME-MRVPVSSYSA-N

• Dehydro-Iso-Androsterone Acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 853-23-6
Synonyms: Prasterone acetate, Androstenolone acetate, Dehydroepiandrosterone acetate, Dehydroisoandrosterone acetate, Prestwick0_000937, Prestwick1_000937, Prestwick2_000937, Prestwick3_000937, Dehydroisoandrosterone 3-acetate, CCRIS 7926, Dehydroepiandrosterone 3-acetate, BSPBio_000874, trans-Dehydroandrosterone acetate, MLS002154068, SPBio_003043, Dehydroisoandosterone 3-acetate, 390089_ALDRICH, BPBio1_000962, 3-beta-Acetoxydehydroepiandrosterone, SKF 2847

Molecular Formula: C21H30O3Molecular Weight: 330.461100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NCMZQTLCXHGLOK-ZKHIMWLXSA-N

• Dehydroepiandrosterone (DHEA)
IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-43-0
Synonyms: Dehydroepiandrosterone, Androstenolone, Psicosterone, Diandrone, Diandron, Dehydroisoandrosterone, DHEA, Prestara, PRASTERONE, Andrestenol, 17-Hormoforin, 17-Chetovis, Siscelar plus, trans-Dehydroandrosterone, Androstenol, Astenile, Deandros, Inflabloc, Anastar, Fidelin

Molecular Formula: C19H28O2Molecular Weight: 288.424420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-N

• Dehydronandrolon
IUPAC Name: [(8R,9S,10R,13S,14S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 2590-41-2
Synonyms: Dehydronandrolone, 6-Dehydro Nandrolone Acetate, 17|A-Acetoxyestra-4,6-dien-3-one, 6-Dehydro-19-nortestosterone Acetate, 17|A-Hydroxyestra-4,6-dien-3-one Acetate

Molecular Formula: C20H26O3Molecular Weight: 314.418640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OGUASZAAVFYYIL-KOUBEUHGSA-N

• Dess-Martin Periodinane
IUPAC Name: (9,9-diacetyloxy-7-oxo-9$l^{5}-ioda-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-yl) acetate | CAS Registry Number: 87413-09-0
Synonyms: Dess-Martin periodinane, 274623_ALDRICH, 559873_ALDRICH, Dess-Martin periodinane solution, ZINC04254179, TL8005678, R00003, 1,1,1-Tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1H)-one, 1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-

Molecular Formula: C13H13IO8Molecular Weight: 424.141990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: NKLCNNUWBJBICK-UHFFFAOYSA-N

• Diatrizoic Acid
IUPAC Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid | CAS Registry Number: 117-96-4
Synonyms: Diatrizoic acid, amidotrizoic acid, Amidotrizoate, Urografin acid, Odiston, Urogranoic acid, Diatriazoate, Urotrast, DIATRIZOATE, Methalamic acid, Diatrizoesaeure, Gastrografin, Iothalamate, Triombrine, Triombrin, Urovison, Vascoray, Hypaque, Diat, Diatrizoate sodium

Molecular Formula: C11H9I3N2O4Molecular Weight: 613.913570 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YVPYQUNUQOZFHG-UHFFFAOYSA-N

• Ethyl 2,2-Dimethylphenylacetate
IUPAC Name: ethyl 2-methyl-2-phenylpropanoate | CAS Registry Number: 2901-13-5
Synonyms: NSC29060, CID232036, ZINC01651925, E00007

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OFYSAFPKXXTYLU-UHFFFAOYSA-N

• Ethyl 2-Bromo-4-Trifluoromethylthiazole-5-Carboxylate
IUPAC Name: ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate | CAS Registry Number: 72850-79-4
Synonyms: Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, ethyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate, AG-G-87296, Ethyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate, ethyl 2-bromo-4-trifluoromethyl-1,3-thiazole-5-carboxylate, 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester, AGN-PC-00LUPX, SureCN299362, CTK5D6955, MolPort-001-776-914, ANW-72511, ZINC15443619, AKOS005072668, AB43576, AC-7165, AG-B-21334, AG-E-69747, MCULE-4559218336, QC-6267, RP16167

Molecular Formula: C7H5BrF3NO2SMolecular Weight: 304.084310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XPAISTXWPBHIMZ-UHFFFAOYSA-N

• Ethyl 2-ethyl-2-(1-Methylbutyl)malonate
IUPAC Name: diethyl 2-ethyl-2-pentan-2-ylpropanedioate | CAS Registry Number: 76-72-2
Synonyms: NSC10824, Diethyl ethyl(1-methylbutyl)malonate, EINECS 200-981-7, AI3-11057, Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester, E00012, Malonic acid, ethyl(1-methylbutyl)-, diethyl ester

Molecular Formula: C14H26O4Molecular Weight: 258.353840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZQGOJSLHZOKIBV-UHFFFAOYSA-N

• Ethyl 3-amino-3-ethoxyacrylate hydrochloride
IUPAC Name: ethyl 3-amino-3-ethoxyprop-2-enoate;hydrochloride | CAS Registry Number: 34570-16-6
Synonyms: Ethyl 3-amino-3-ethoxyacrylate hydrochloride, ACMC-20akzy, CTK6F2668, AG-C-10897, KB-51068

Molecular Formula: C7H14ClNO3Molecular Weight: 195.643960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JYGHNNMPKVPTKF-UHFFFAOYSA-N

• Ethyl 4-methyl-5-imidazolecarboxylate
IUPAC Name: ethyl 5-methyl-1H-imidazole-4-carboxylate | CAS Registry Number: 51605-32-4
Synonyms: Enamine_002110, 4-Carboethoxy-5-methylimidazole, MLS000564960, 199893_ALDRICH, NSC195976, CID99200, EINECS 257-315-3, ZINC00155891, Ethyl 4-methylimidazole-5-carboxylate, NSC 195976, SMR000152201, ST5307495, 1H-Imidazole-4-carboxylic acid, 5-methyl-, ethyl ester, I00007

Molecular Formula: C7H10N2O2Molecular Weight: 154.166500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VLDUBDZWWNLZCU-UHFFFAOYSA-N

• Ethyl 6-Bromoindole-2-carboxylate
IUPAC Name: ethyl 6-bromo-1H-indole-2-carboxylate | CAS Registry Number: 103858-53-3
Synonyms: ethyl 6-bromo-1H-indole-2-carboxylate, ETHYL 6-BROMOINDOLE-2-CARBOXYLATE, AG-D-15288, 6-bromo-1H-indole-2-carboxylic acid ethyl ester, AR-437/43285096, 1H-Indole-2-carboxylicacid, 6-bromo-, ethyl ester, 6-Bromo-2-Indolecarboxylic ethyl ester, ZINC02383949, ACMC-209znl, SureCN3275836, AC1Q349W, CTK4A2445, MolPort-002-041-340, ANW-50479, AKOS004912416, MCULE-5279860443, QC-8057, RP06445, 6-Bromo-2-(ethoxylcarbonyl)-1H-indole, AK-27257

Molecular Formula: C11H10BrNO2Molecular Weight: 268.106600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FVMZWWFKRMBNSZ-UHFFFAOYSA-N

• Fluorene-9-acetic acid
IUPAC Name: 2-(9H-fluoren-9-yl)acetic acid | CAS Registry Number: 6284-80-6
Synonyms: 9-Fluoreneacetate, 9-Fluoreneacetic acid, 9-Fluorenylacetic acid, 9H-Fluorene-9-acetic acid, 328898_ALDRICH, NSC5255, ST5307723

Molecular Formula: C15H12O2Molecular Weight: 224.254580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WFSMJMTYIMFHPV-UHFFFAOYSA-N

• H-D-PHE(4-CL)-OME HCL
IUPAC Name: methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate;hydrochloride | CAS Registry Number: 33965-47-8
Synonyms: 4-Chloro-D-phenylalanine methyl ester hydrochloride, 4-Chloro-D-Phe-Ome HCl, SureCN1473550, CTK3J1808, AKOS015890376, AK-49701, KB-191003, FT-0082988, A00169, I01-6893

Molecular Formula: C10H13Cl2NO2Molecular Weight: 250.121720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GCBCWTWQAFLKJG-SBSPUUFOSA-N

• H-Phe-NH2
IUPAC Name: (2S)-2-amino-3-phenylpropanamide | CAS Registry Number: 5241-58-7
Synonyms: Phenylalanine amide, L-Phenylalaninamide, P1883_SIGMA, 80314_FLUKA, Benzenepropanamide, alpha-amino-, (S)-, A00183, NFA, PHA

Molecular Formula: C9H12N2OMolecular Weight: 164.204380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OBSIQMZKFXFYLV-QMMMGPOBSA-N

• Hydroxycapric Acid
IUPAC Name: 2-hydroxydecanoic acid | CAS Registry Number: 5393-81-7
Synonyms: 2-Hydroxydecanoate, alpha-Hydroxycapric acid, Decanoic acid, 2-hydroxy-, .alpha.-Hydroxydecanoic acid, alpha-Hydroxydecanoic acid, 2-HYDROXYDECANOIC ACID, H6271_SIGMA, (+/-)-2-Hydroxydecanoic acid, NSC4801, MolPort-000-004-102, CID21488, NSC 4801, LMFA01050029, Decanoic acid, 2-hydroxy- (8CI)(9CI)

Molecular Formula: C10H20O3Molecular Weight: 188.264000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GHPVDCPCKSNJDR-UHFFFAOYSA-N

• L-2-Bromophenylalanine
IUPAC Name: (2S)-2-amino-3-(2-bromophenyl)propanoic acid | CAS Registry Number: 42538-40-9
Synonyms: 2-Bromophenylalanine, o-Bromo-L-phenylalanine, Phenylalanine, 2-bromo-, AL290-1, TL8003023, A00199, 1991-79-3

Molecular Formula: C9H10BrNO2Molecular Weight: 244.085200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N

• L-3-Cyanophenylalanine
IUPAC Name: (2S)-2-azaniumyl-3-(3-cyanophenyl)propanoate | CAS Registry Number: 57213-48-6
Synonyms: ZINC02556575

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZHUOMTMPTNZOJE-VIFPVBQESA-N

• L-4-Chlorophenylalanine
IUPAC Name: 2-amino-3-(4-chlorophenyl)propanoic acid | CAS Registry Number: 14173-39-8
Synonyms: Fenclonine, Fenchlonine, Fenclonin, p-chlorophenylalanine, p-Clorophenylalanine, C-Pal, 4-Chlorophenylalanine, DL-PCPA, para-Chlorophenylalanine, PCPA, DL-p-Chlorophenylalanine, Fenclonine [USAN:INN], Fencloninum [INN-Latin], 4-Chloro-3-phenylalanine, L-p-Chlorophenylalanine, Phenylalanine, 4-chloro-, Spectrum_001188, Fenclonina [INN-Spanish], (+-)-p-Chlorphenylalanine, Fenclonine (USAN/INN)

Molecular Formula: C9H10ClNO2Molecular Weight: 199.634200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NIGWMJHCCYYCSF-UHFFFAOYSA-N

• L-Homophenylalanine
IUPAC Name: 2-amino-4-phenylbutanoic acid | CAS Registry Number: 943-73-7
Synonyms: Benzylalanine, Homophenylalanine, DL-Homophenylalanine, 4-Phenyl-2-aminobutyrate, 2-Amino-4-phenylbutyric acid, alpha-Aminobenzenebutanoic acid, 2-Amino-4-phenylbutanoic acid, 294357_ALDRICH, 4-Phenylbutyric acid, 2-amino-, ()-2-Amino-4-phenylbutyric acid, Benzenebutanoic acid, alpha-amino-, EINECS 213-403-3, BBV-076835, 2-amino-4-phenylbutyric acid, (S)-isomer, 2-amino-4-phenylbutyric acid, hydrochloride, 2-amino-4-phenylbutyric acid, (+-)-isomer, C014328, 7636-28-4

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JTTHKOPSMAVJFE-UHFFFAOYSA-N

• L-Lysine methyl ester dihydrochloride
IUPAC Name: methyl (2S)-2,6-diaminohexanoate dihydrochloride | CAS Registry Number: 26348-70-9
Synonyms: Methyl L-lysinate dihydrochloride, EINECS 247-625-7, CID117778, L-LYSINE METHYL ESTER DI HCL

Molecular Formula: C7H18Cl2N2O2Molecular Weight: 233.136020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: SXZCBVCQHOJXDR-ILKKLZGPSA-N

• L-Phenylalanine, 3,5-difluoro-
IUPAC Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid | CAS Registry Number: 31105-91-6
Synonyms: 3,5-difluoro-l-phenylalanine, L-3,5-Difluorophenylalanine, 3-(3,5-difluorophenyl)-L-alanine, (S)-2-Amino-3-(3,5-difluorophenyl)propanoic acid, (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid, 1(S)-2-amino-3-(3,5-difluorophenyl)propanoic acid, (S)-2-Amino-3-(3,5-difluoro-phenyl)-propionic acid, DL-3,5-Difluoro-phe-OH, PubChem4078, PubChem4079, AC1LEQDL, SureCN188321, AC1Q4NB3, L-3,5-DIFLUOROPHE, L-3,5- Difluorophenylalanine, L-Phenylalanine,3,5-difluoro-, H-PHE(3,5-DIF)-OH, L-PHE(3,5-DIF)-OH, CTK4G6397, H-PHE(3,5-F2)-OH

Molecular Formula: C9H9F2NO2Molecular Weight: 201.170066 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QFGMPXZFCIHYIR-QMMMGPOBSA-N

• L-tert-Leucine
IUPAC Name: 2-amino-3,3-dimethylbutanoic acid | CAS Registry Number: 20859-02-3
Synonyms: D-tert-Leucine, DL-tert-Leucine, D-t-Butylglycine, 3-Methyl-l-valine, DL-alpha-tert-Butylglycine, 332178_ALDRICH, 2-Amino-3,3-dimethylbutanoic acid, 61837_FLUKA, NSC203785, ()-2-Amino-3,3-dimethylbutyric acid

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N

• Methyl 2-(4-[4-(4-Benzhydryloxy-Piperidin-1-Yl)-Butyryl]-PHENYL)-2-Methylpropionate
IUPAC Name: methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate | CAS Registry Number: 154477-54-0
Synonyms: Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate, 2-[4-(4-CHLORO-1-OXOBUTYL)-, Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene acetate, SureCN1502354, (OR), CTK4C8268, MolPort-005-937-999, -a,a-DIMETHYL PHENYLACETATE, SBB064522, ZINC21991760, AKOS015890024, AG-E-02411, AC-18947, AK116713, O878, AM20030050, FT-0655725, METHYL [4-(4-CHLORO-1-OXOBUTYL)], M-1367, I01-5030

Molecular Formula: C15H19ClO3Molecular Weight: 282.762560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ULWORPZJUIFPIC-UHFFFAOYSA-N

• Methyl 3-Oxocyclobutanecarboxylate
IUPAC Name: methyl 3-oxocyclobutane-1-carboxylate | CAS Registry Number: 695-95-4
Synonyms: METHYL 3-OXOCYCLOBUTANECARBOXYLATE, methyl 3-oxocyclobutane-1-carboxylate, AG-G-71099, CYCLOBUTANECARBOXYLIC ACID, 3-OXO-, METHYL ESTER, SureCN872959, KSC630K4P, AGN-PC-0001YP, Methyl3-oxocyclobutanecarboxylate, CTK5D0547, MolPort-015-163-768, HT483, Methyl 3-oxo-cyclobutanecarboxylate, 3-METHOXYCARBONYLCYCLOBUTANONE, ANW-49081, ZINC34203349, AKOS006228714, PB32215, RP08831, AK-77056, BR-77056

Molecular Formula: C6H8O3Molecular Weight: 128.125920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IHLHSAIBOSSHQV-UHFFFAOYSA-N

• Methyl M-cyanobenzoate
IUPAC Name: methyl 3-cyanobenzoate | CAS Registry Number: 13531-48-1
Synonyms: Methyl m-cyanobenzoate, methyl 3-cyanobenzoate, 3-CN-C6H4-COOCH3, Benzoic acid, 3-cyano-, methyl ester, CID83554, RJC 00610, ZINC02559224, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XPBHWSMZTSSEJE-UHFFFAOYSA-N


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