 | | P2Q | | Name: | 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine | | Formula: | C20 H22 N2 O6 | | SMILES: | N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O | | InChi: | InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1 | | Synonyms: | 3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine | | Definition date: | 2009-11-10 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid |
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 | | P3L | | Name: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C15 H17 Cl N2 O3 | | SMILES: | O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | P3Q | | Name: | 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine | | Formula: | C21 H24 N2 O5 | | SMILES: | N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O | | InChi: | InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1 | | Definition date: | 2009-11-19 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid |
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 | | AGM | | Name: | 5-METHYL-ARGININE | | Formula: | C7 H17 N4 O2 | | SMILES: | O=C(O)C(N)CCC(NC(=[NH2+])N)C | | InChi: | InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | amino{[(1S,4S)-4-amino-4-carboxy-1-methylbutyl]amino}methaniminium |
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 | | AGQ | | Name: | 3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine | | Formula: | C10 H13 N5 O4 | | SMILES: | O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N | | InChi: | InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1 | | Definition date: | 2010-05-17 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | AHB | | Name: | BETA-HYDROXYASPARAGINE | | Formula: | C4 H8 N2 O4 | | SMILES: | O=C(O)C(N)C(O)C(=O)N | | InChi: | InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-hydroxy-L-asparagine |
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 | | AHH | | Name: | AMINO-HYDROXYHEPTANOIC ACID | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(O)C(N)CCCC | | InChi: | InChI=1S/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3R)-3-amino-2-hydroxyheptanoic acid |
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 | | AHO | | Name: | N-ACETYL-N-HYDROXY-L-ORNITHINE | | Formula: | C7 H14 N2 O4 | | SMILES: | O=C(N(O)CCCC(N)C(=O)O)C | | InChi: | InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1 | | Synonyms: | 5-(ACETYL-HYDROXY-AMINO)-2-AMINO-PENTANOIC ACID | | Definition date: | 1999-08-13 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-acetyl-N~5~-hydroxy-L-ornithine |
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 | | AHP | | Name: | 2-AMINO-HEPTANOIC ACID | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)CCCCC | | InChi: | InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2000-06-15 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-aminoheptanoic acid |
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 | | 7MD | | Name: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine | | Formula: | C17 H27 N8 O9 P | | SMILES: | O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1 | | Definition date: | 2011-09-11 | | Last modified: | 2023-11-03 | | Identifier: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine |
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 | | AIB | | Name: | ALPHA-AMINOISOBUTYRIC ACID | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)(C)C | | InChi: | InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-methyl-L-alanine |
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 | | 7N8 | | Name: | 4-Borono-L-phenylalanine | | Formula: | C9 H12 B N O4 | | SMILES: | N[CH](Cc1ccc(cc1)B(O)O)C(O)=O | | InChi: | InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2016-11-24 | | Last modified: | 2023-11-03 | | Release date: | 2017-10-11 | | Identifier: | (2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid |
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 | | 7NF | | Name: | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid | | Formula: | C7 H7 N O4 S | | SMILES: | CCOC(=O)c1scc(n1)C(O)=O | | InChi: | InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10) | | Definition date: | 2016-11-27 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-20 | | Identifier: | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid |
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 | | AJE | | Name: | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid | | Formula: | C9 H14 N2 O5 | | SMILES: | O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O | | InChi: | InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1 | | Definition date: | 2015-02-04 | | Last modified: | 2023-11-03 | | Release date: | 2015-09-09 | | Identifier: | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid |
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 | | 004 | | Name: | (2S)-amino(phenyl)ethanoic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)C(N)c1ccccc1 | | InChi: | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1 | | Synonyms: | L-Phenylglycine | | Definition date: | 2010-04-27 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(phenyl)ethanoic acid |
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 | | 00C | | Name: | 3-sulfo-D-alanine | | Formula: | C3 H7 N O5 S | | SMILES: | O=C(O)C(N)CS(=O)(=O)O | | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1 | | Synonyms: | D-Cysteine sulfinic acid | | Definition date: | 2008-12-24 | | Last modified: | 2023-11-03 | | Identifier: | 3-sulfo-D-alanine |
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 | | 00E | | Name: | morpholin-4-ylacetic acid | | Formula: | C6 H11 N O3 | | SMILES: | O=C(O)CN1CCOCC1 | | InChi: | InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9) | | Definition date: | 2010-04-27 | | Last modified: | 2023-11-03 | | Identifier: | morpholin-4-ylacetic acid |
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 | | 00I | | Name: | N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine | | Formula: | C30 H35 N5 O6 S | | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4 | | InChi: | InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1 | | Definition date: | 2010-10-19 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine |
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 | | 00S | | Name: | 4-(aminomethyl)benzenecarboximidamide | | Formula: | C8 H11 N3 | | SMILES: | [N@H]=C(c1ccc(cc1)CN)N | | InChi: | InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11) | | Definition date: | 2010-11-12 | | Last modified: | 2023-11-03 | | Identifier: | 4-(aminomethyl)benzenecarboximidamide |
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 | | 010 | | Name: | phenylmethanol | | Formula: | C7 H8 O | | SMILES: | OCc1ccccc1 | | InChi: | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | | Definition date: | 2010-11-15 | | Last modified: | 2023-11-03 | | Release date: | 2013-12-25 | | Identifier: | phenylmethanol |
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 | | 011 | | Name: | 7-aminoheptanoic acid | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)CCCCCCN | | InChi: | InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10) | | Definition date: | 2010-11-16 | | Last modified: | 2023-11-03 | | Identifier: | 7-aminoheptanoic acid |
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 | | AKK | | Name: | (1Z)-prop-1-en-1-amine | | Formula: | C3 H7 N | | SMILES: | C(=CN)C | | InChi: | InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2- | | Definition date: | 2011-03-25 | | Last modified: | 2023-11-03 | | Identifier: | (1Z)-prop-1-en-1-amine |
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 | | 01B | | Name: | (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)C(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1 | | Definition date: | 2010-06-18 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid |
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 | | AKR | | Name: | ACRYLIC ACID | | Formula: | C3 H4 O2 | | SMILES: | O=C(O)C=C | | InChi: | InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) | | Definition date: | 2000-11-28 | | Last modified: | 2023-11-03 | | Identifier: | prop-2-enoic acid |
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 | | AKZ | | Name: | (3S)-3-amino-4,4-dihydroxybutanoic acid | | Formula: | C4 H9 N O4 | | SMILES: | O=C(O)CC(N)C(O)O | | InChi: | InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1 | | Definition date: | 2011-01-25 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-amino-4,4-dihydroxybutanoic acid |
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