 | | IML | | Name: | N-METHYL-ISOLEUCINE | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(NC)C(CC)C | | InChi: | InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-L-isoleucine |
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 | | 0NC | | Name: | N-methyl-L-alaninamide | | Formula: | C4 H10 N2 O | | SMILES: | O=C(NC)C(N)C | | InChi: | InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1 | | Definition date: | 2008-03-31 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-L-alaninamide |
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 | | 0QE | | Name: | chloromethane | | Formula: | C H3 Cl | | SMILES: | ClC | | InChi: | InChI=1S/CH3Cl/c1-2/h1H3 | | Synonyms: | Chloro Methyl group | | Definition date: | 2008-12-08 | | Last modified: | 2024-09-27 | | Identifier: | chloromethane |
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 | | ITZ | | Name: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid | | Formula: | C9 H14 N2 O2 S | | SMILES: | NC(c1nc(C(=O)O)cs1)C(CC)C | | InChi: | InChI=1S/C9H14N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)/t5-,7-/m0/s1 | | Definition date: | 2019-12-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid |
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 | | K2Z | | Name: | benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate | | Formula: | C27 H45 N5 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(CC)C(O)C(=O)NCCCN2CCN(CC2)C)CC(C)C | | InChi: | InChI=1S/C27H45N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-24,33H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22-,23-,24-/m0/s1 | | Definition date: | 2007-12-08 | | Last modified: | 2024-09-27 | | Identifier: | benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate (non-preferred name) |
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 | | IVA | | Name: | ISOVALERIC ACID | | Formula: | C5 H10 O2 | | SMILES: | O=C(O)CC(C)C | | InChi: | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-methylbutanoic acid |
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 | | K7I | | Name: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide | | Formula: | C16 H25 N3 O3 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C | | InChi: | InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1 | | Synonyms: | ALA-ALA-PHE-CHLOROMETHYL KETONE | | Definition date: | 2007-11-12 | | Last modified: | 2024-09-27 | | Identifier: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
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 | | K7J | | Name: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | | Formula: | C25 H35 Cl N4 O7 | | SMILES: | O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2 | | InChi: | InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1 | | Synonyms: | SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE | | Definition date: | 2007-11-12 | | Last modified: | 2024-09-27 | | Identifier: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide |
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 | | KBE | | Name: | beta-lysine | | Formula: | C6 H14 N2 O2 | | SMILES: | NCCC[CH](N)CC(O)=O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (3S)-3,6-diaminohexanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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 | | KCY | | Name: | D-homocysteine | | Formula: | C4 H9 N O2 S | | SMILES: | C(C(N)CCS)(=O)O | | InChi: | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | | Definition date: | 2015-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2015-04-15 | | Identifier: | D-homocysteine |
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 | | KDG | | Name: | 2-KETO-3-DEOXYGLUCONATE | | Formula: | C6 H10 O6 | | SMILES: | O=C(C(=O)O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1 | | Definition date: | 2004-04-12 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-erythro-hex-2-ulosonic acid |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2024-09-27 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | KPI | | Name: | (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid | | Formula: | C9 H16 N2 O4 | | SMILES: | OC(C(N)CCCCN=C(/C)C(O)=O)=O | | InChi: | InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1 | | Definition date: | 2008-07-25 | | Last modified: | 2024-09-27 | | Identifier: | (E)-N~6~-(1-carboxyethylidene)-L-lysine |
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 | | 7BB | | Name: | trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid | | Formula: | C15 H24 N2 O6 S | | SMILES: | O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O | | InChi: | InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11- | | Definition date: | 2012-01-04 | | Last modified: | 2024-09-27 | | Identifier: | trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid |
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 | | KV6 | | Name: | (3R)-3-aminoheptadecanoic acid | | Formula: | C17 H35 N O2 | | SMILES: | NC(CCCCCCCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl
)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl
]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide | | Definition date: | 2022-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-01 | | Identifier: | (3R)-3-aminoheptadecanoic acid |
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 | | KWS | | Name: | {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C9 H13 N3 O4 | | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C | | InChi: | InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2011-11-18 | | Last modified: | 2024-09-27 | | Identifier: | {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 7EP | | Name: | (2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C17 H22 N2 O6 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC | | InChi: | InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1 | | Synonyms: | methicillin, bound form | | Definition date: | 2010-06-28 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | KYN | | Name: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(c1ccccc1N)CC(C(=O)O)N | | InChi: | InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 | | Synonyms: | L-KYNURENINE | | Definition date: | 2004-05-16 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
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 | | KYQ | | Name: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CO | | InChi: | InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1 | | Definition date: | 2008-04-04 | | Last modified: | 2024-09-27 | | Identifier: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine |
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 | | L3O | | Name: | (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(O)C(N)CC(C)C | | InChi: | InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1 | | Definition date: | 2009-05-03 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid |
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 | | L71 | | Name: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione | | Formula: | C13 H16 N2 O2 | | SMILES: | O=C2N(C(=O)CC2c1cccc(c1)CN)CC | | InChi: | InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
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 | | L7S | | Name: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide | | Formula: | C13 H14 N2 O3 | | SMILES: | O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC | | InChi: | InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide |
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 | | LA2 | | Name: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine | | Formula: | C14 H28 N2 O3 S2 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS | | InChi: | InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1 | | Synonyms: | lipoyllysine | | Definition date: | 2008-04-16 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine |
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 | | LAV | | Name: | N-[(2S)-2-amino-4-methylpentyl]-L-valine | | Formula: | C11 H24 N2 O2 | | SMILES: | O=C(O)C(NCC(N)CC(C)C)C(C)C | | InChi: | InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1 | | Definition date: | 2010-10-28 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2S)-2-amino-4-methylpentyl]-L-valine |
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 | | LCK | | Name: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine | | Formula: | C10 H18 N2 O4 | | SMILES: | O=C(O)CC(=N/CCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1 | | Definition date: | 2008-02-15 | | Last modified: | 2024-09-27 | | Identifier: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine |
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