 | | 1TX | | Name: | (2S)-2-amino-7-methoxy-7-oxoheptanoic acid | | Formula: | C8 H15 N O4 | | SMILES: | O=C(OC)CCCCC(C(=O)O)N | | InChi: | InChI=1S/C8H15NO4/c1-13-7(10)5-3-2-4-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1 | | Definition date: | 2013-06-17 | | Last modified: | 2023-11-03 | | Release date: | 2013-12-04 | | Identifier: | (2S)-2-amino-7-methoxy-7-oxoheptanoic acid |
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 | | 1TY | | Name: | 3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1 | | Definition date: | 2005-07-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine |
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 | | 1U8 | | Name: | (3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid | | Formula: | C14 H17 N O5 | | SMILES: | O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C | | InChi: | InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1 | | Definition date: | 2013-03-28 | | Last modified: | 2023-11-03 | | Release date: | 2013-06-12 | | Identifier: | (3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid |
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 | | 1VR | | Name: | (3R)-3-amino-4-methylpentanoic acid | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)CC(N)C(C)C | | InChi: | InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 | | Synonyms: | beta-3-homovaline | | Definition date: | 2013-06-21 | | Last modified: | 2023-11-03 | | Release date: | 2013-09-04 | | Identifier: | (3R)-3-amino-4-methylpentanoic acid |
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 | | LGY | | Name: | (E)-N~6~-(4-oxobutylidene)-L-lysine | | Formula: | C10 H18 N2 O3 | | SMILES: | O=C(O)C(N)CCCC/N=C/CCC=O | | InChi: | InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1 | | Definition date: | 2010-07-16 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-(4-oxobutylidene)-L-lysine |
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 | | 1WI | | Name: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione | | Formula: | C25 H27 F N4 O4 | | SMILES: | CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F | | InChi: | InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34) | | Definition date: | 2022-11-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione |
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 | | LHC | | Name: | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid | | Formula: | C8 H12 N4 O3 | | SMILES: | O=C1N=C(C=CN1CCC(C(=O)O)N)N | | InChi: | InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1 | | Definition date: | 2008-02-12 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid |
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 | | LHE | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline | | Formula: | C12 H26 N2 O3 | | SMILES: | O=C(O)C(NCC(O)C(N)CC(C)C)CCC | | InChi: | InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1 | | Definition date: | 2014-06-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline |
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 | | LHV | | Name: | (2S)-2-hydroxy-3-methylbutanoic acid | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)C(O)C(C)C | | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 2012-10-16 | | Last modified: | 2023-11-03 | | Release date: | 2016-04-20 | | Identifier: | (2S)-2-hydroxy-3-methylbutanoic acid |
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 | | 1XY | | Name: | (4R)-3,4-dihydro-2H-chromen-4-amine | | Formula: | C9 H11 N O | | SMILES: | O2c1ccccc1C(N)CC2 | | InChi: | InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1 | | Definition date: | 2013-07-30 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-07 | | Identifier: | (4R)-3,4-dihydro-2H-chromen-4-amine |
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 | | 1Y6 | | Name: | 4-fluorobenzoic acid | | Formula: | C7 H5 F O2 | | SMILES: | Fc1ccc(C(=O)O)cc1 | | InChi: | InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) | | Definition date: | 2013-07-31 | | Last modified: | 2023-11-03 | | Release date: | 2014-12-31 | | Identifier: | 4-fluorobenzoic acid |
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 | | LJ0 | | Name: | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide | | Formula: | C14 H18 N2 O | | SMILES: | O=C(Nc1cnccc1C)C1C2CCCCC21 | | InChi: | InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+ | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
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 | | LJO | | Name: | (3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide | | Formula: | C12 H13 N3 O2 | | SMILES: | N#CC1(CCOC1)C(=O)Nc1cnccc1C | | InChi: | InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide |
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 | | 1ZN | | Name: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid | | Formula: | C20 H29 N O3 | | SMILES: | O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C | | InChi: | InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1 | | Definition date: | 2008-12-11 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid |
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 | | 200 | | Name: | 4-CHLORO-L-PHENYLALANINE | | Formula: | C9 H10 Cl N O2 | | SMILES: | Clc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO2/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 | | Definition date: | 2005-09-15 | | Last modified: | 2023-11-03 | | Identifier: | 4-chloro-L-phenylalanine |
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 | | LKE | | Name: | 2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | | Formula: | C13 H12 N6 O3 | | SMILES: | NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O | | InChi: | InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5- | | Definition date: | 2019-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2021-02-17 | | Identifier: | 2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | LLP | | Name: | (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid | | Formula: | C14 H22 N3 O7 P | | SMILES: | n1c(C)c(O)c(C=NCCCCC(N)C(=O)O)c(c1)COP(=O)(O)O | | InChi: | InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1 | | Synonyms: | N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine |
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 | | LM0 | | Name: | (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide | | Formula: | C14 H17 N3 O3 | | SMILES: | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O | | InChi: | InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
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 | | LME | | Name: | (2S,3R)-2-azanyl-3-methyl-pentanedioic acid | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)C(N)C(CC(=O)O)C | | InChi: | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1 | | Synonyms: | (3R)-3-methyl-L-glutamic acid | | Definition date: | 2004-11-05 | | Last modified: | 2023-11-03 | | Identifier: | (3R)-3-methyl-L-glutamic acid |
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 | | LML | | Name: | ISOBUTYL MALONIC ACID | | Formula: | C7 H12 O4 | | SMILES: | O=C(O)C(C(=O)O)CC(C)C | | InChi: | InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2-methylpropyl)propanedioic acid |
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 | | 22G | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine | | Formula: | C18 H22 N2 O3 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1 | | Definition date: | 2013-08-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-01-15 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine |
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 | | LMQ | | Name: | (3S)-3-methyl-L-glutamine | | Formula: | C6 H12 N2 O3 | | SMILES: | O=C(N)CC(C)C(N)C(=O)O | | InChi: | InChI=1S/C6H12N2O3/c1-3(2-4(7)9)5(8)6(10)11/h3,5H,2,8H2,1H3,(H2,7,9)(H,10,11)/t3-,5-/m0/s1 | | Synonyms: | beta-methylglutamine | | Definition date: | 2008-06-02 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-methyl-L-glutamine |
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 | | 22Q | | Name: | (3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione | | Formula: | C9 H12 N2 O2 S | | SMILES: | O=C1C(=N/C(C(=O)N1)=CS)CC(C)C | | InChi: | InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4- | | Definition date: | 2014-03-12 | | Last modified: | 2023-11-03 | | Release date: | 2015-05-20 | | Identifier: | (3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione |
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 | | 22W | | Name: | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one | | Formula: | C9 H12 N2 O2 S | | SMILES: | S=C=C1/N=C(OC1=O)C(N)C(C)CC | | InChi: | InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1 | | Definition date: | 2014-03-12 | | Last modified: | 2023-11-03 | | Release date: | 2015-05-20 | | Identifier: | 2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one |
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 | | LO0 | | Name: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide | | Formula: | C15 H16 N2 O4 | | SMILES: | O=C(NCCOc1ccccc1OC)C1=CC=NC(=O)C1 | | InChi: | InChI=1S/C15H16N2O4/c1-20-12-4-2-3-5-13(12)21-9-8-17-15(19)11-6-7-16-14(18)10-11/h2-7H,8-10H2,1H3,(H,17,19) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide |
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