 | | 3BY | | Name: | 1-methyl-L-proline | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCN1C | | InChi: | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2014-07-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-15 | | Identifier: | 1-methyl-L-proline |
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 | | 3CF | | Name: | 3-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-cyano-L-phenylalanine |
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 | | 3CT | | Name: | 3-chloro-L-tyrosine | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2023-11-03 | | Release date: | 2015-08-19 | | Identifier: | 3-chloro-L-tyrosine |
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 | | 3EG | | Name: | (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Formula: | C4 H6 F3 N O2 | | SMILES: | FC(F)(F)CC(N)C(=O)O | | InChi: | InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1 | | Definition date: | 2011-10-13 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
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 | | 3FB | | Name: | (3S)-3-AMINO-4-PHENYLBUTANOIC ACID | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)CC(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2002-08-05 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-amino-4-phenylbutanoic acid |
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 | | 3FG | | Name: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | | Formula: | C8 H9 N O4 | | SMILES: | O=C(O)C(c1cc(O)cc(O)c1)N | | InChi: | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
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 | | 3GL | | Name: | (2S,4S)-2-amino-4-hydroxy-pentanedioic acid | | Formula: | C5 H9 N O5 | | SMILES: | O=C(O)C(N)CC(O)C(=O)O | | InChi: | InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1 | | Synonyms: | 4-HYDROXY-GLUTAMIC-ACID | | Definition date: | 2010-11-03 | | Last modified: | 2023-11-03 | | Identifier: | (2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name) |
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 | | 3ZH | | Name: | 11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid | | Formula: | C31 H51 N3 O4 | | SMILES: | O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2 | | InChi: | InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1 | | Definition date: | 2014-12-12 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-29 | | Identifier: | 11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid |
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 | | 40A | | Name: | N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine | | Formula: | C12 H17 N7 O3 | | SMILES: | O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C | | InChi: | InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1 | | Definition date: | 2010-04-26 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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 | | 40C | | Name: | N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine | | Formula: | C11 H17 N5 O4 | | SMILES: | O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N | | InChi: | InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1 | | Definition date: | 2010-04-26 | | Last modified: | 2023-11-03 | | Identifier: | N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine |
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 | | 40G | | Name: | N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine | | Formula: | C12 H17 N7 O4 | | SMILES: | O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C | | InChi: | InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1 | | Definition date: | 2010-04-26 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine |
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 | | 40T | | Name: | N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | | Formula: | C12 H18 N4 O5 | | SMILES: | O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C | | InChi: | InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1 | | Definition date: | 2010-04-26 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | | 41H | | Name: | (betaS)-beta-methyl-L-phenylalanine | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)C(N)C(c1ccccc1)C | | InChi: | InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1 | | Definition date: | 2015-01-09 | | Last modified: | 2023-11-03 | | Release date: | 2016-02-03 | | Identifier: | (betaS)-beta-methyl-L-phenylalanine |
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 | | 41Q | | Name: | 4-imino-L-homoserine | | Formula: | C4 H8 N2 O3 | | SMILES: | O=C(O)C(N)CC(=[N@H])O | | InChi: | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 | | Definition date: | 2015-01-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-10-07 | | Identifier: | 4-imino-L-homoserine |
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 | | 42Y | | Name: | O-propanoyl-L-serine | | Formula: | C6 H11 N O4 | | SMILES: | O=C(OCC(C(=O)O)N)CC | | InChi: | InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 | | Definition date: | 2015-01-23 | | Last modified: | 2023-11-03 | | Release date: | 2016-01-27 | | Identifier: | O-propanoyl-L-serine |
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 | | 432 | | Name: | O-butanoyl-L-serine | | Formula: | C7 H13 N O4 | | SMILES: | O=C(OCC(C(=O)O)N)CCC | | InChi: | InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 | | Definition date: | 2015-01-23 | | Last modified: | 2023-11-03 | | Release date: | 2016-01-27 | | Identifier: | O-butanoyl-L-serine |
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 | | 45F | | Name: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline | | Formula: | C8 H11 N O3 | | SMILES: | O=C(O)C1NCC(OCC#C)C1 | | InChi: | InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1 | | Definition date: | 2015-02-09 | | Last modified: | 2023-11-03 | | Release date: | 2015-02-25 | | Identifier: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline |
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 | | 45W | | Name: | (4S)-4-(ethynyloxy)-D-proline | | Formula: | C7 H9 N O3 | | SMILES: | O=C(O)C1NCC(OC#C)C1 | | InChi: | InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1 | | Definition date: | 2015-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2015-05-13 | | Identifier: | (4S)-4-(ethynyloxy)-D-proline |
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 | | 4AF | | Name: | 4-ACETYL-L-PHENYLALANINE | | Formula: | C11 H13 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)C | | InChi: | InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | P-ACETYLPHENYLALANINE | | Definition date: | 2005-05-04 | | Last modified: | 2023-11-03 | | Identifier: | 4-acetyl-L-phenylalanine |
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 | | 4AK | | Name: | N~6~-sulfo-L-lysine | | Formula: | C6 H14 N2 O5 S | | SMILES: | O=S(=O)(O)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1 | | Definition date: | 2015-02-20 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-15 | | Identifier: | N~6~-sulfo-L-lysine |
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 | | 4AR | | Name: | amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium | | Formula: | C16 H25 N4 O3 | | SMILES: | O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C | | InChi: | InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1 | | Definition date: | 2013-01-09 | | Last modified: | 2023-11-03 | | Identifier: | amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium |
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 | | 4AW | | Name: | 4-AZATRYPTOPHAN | | Formula: | C10 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc2c1ncccc1nc2 | | InChi: | InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2012-07-16 | | Last modified: | 2023-11-03 | | Release date: | 2013-05-29 | | Identifier: | 3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine |
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 | | 4BA | | Name: | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)c1ccc(cc1)CNCCC(=O)O | | InChi: | InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16) | | Definition date: | 2000-08-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-{[(2-carboxyethyl)amino]methyl}benzoic acid |
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 | | 4BF | | Name: | 4-BROMO-L-PHENYLALANINE | | Formula: | C9 H10 Br N O2 | | SMILES: | Brc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | P-BROMO-L-PHENYLALANINE | | Definition date: | 2005-08-22 | | Last modified: | 2023-11-03 | | Identifier: | 4-bromo-L-phenylalanine |
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 | | 4CF | | Name: | 4-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(C#N)cc1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2023-11-03 | | Identifier: | 4-cyano-L-phenylalanine |
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