 | | YOF | | 表記: | 3-FLUOROTYROSINE | | 組成式: | C9 H10 F N O3 | | SMILES: | Fc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10FNO3/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 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-fluoro-L-tyrosine |
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 | | TRF | | 表記: | N1-FORMYL-TRYPTOPHAN | | 組成式: | C12 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(c2)C=O | | InChi: | InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 1-formyl-L-tryptophan |
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 | | PAC | | 表記: | 2-PHENYLACETIC ACID | | 組成式: | C8 H8 O2 | | SMILES: | O=C(O)Cc1ccccc1 | | InChi: | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | phenylacetic acid |
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 | | Q3S | | 表記: | (2R,3S)-2,3-diaminobutanoic acid | | 組成式: | C4 H10 N2 O2 | | SMILES: | NC(C(O)=O)C(C)N | | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1 | | 定義日: | 2019-09-16 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-11-27 | | 識別子（ID）: | (2R,3S)-2,3-diaminobutanoic acid |
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 | | UZ4 | | 表記: | (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid | | 組成式: | C8 H14 N2 O4 | | SMILES: | NC(C(O)C(O)=O)CC1CCNC1=O | | InChi: | InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1 | | 定義日: | 2020-06-08 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-06-17 | | 識別子（ID）: | (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid |
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 | | VTV | | 表記: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide | | 組成式: | C19 H16 Cl2 N2 O2 | | SMILES: | Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCN(C)C(=O)C=C | | InChi: | InChI=1S/C19H16Cl2N2O2/c1-3-19(24)23(2)7-6-13-4-5-17(21)18(10-13)25-16-9-14(12-22)8-15(20)11-16/h3-5,8-11H,1,6-7H2,2H3 | | 定義日: | 2023-09-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide |
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 | | OG9 | | 表記: | (pyren-1-yl)acetic acid | | 組成式: | C18 H12 O2 | | SMILES: | O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34 | | InChi: | InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20) | | 定義日: | 2022-04-29 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-05-10 | | 識別子（ID）: | (pyren-1-yl)acetic acid |
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 | | X9B | | 表記: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | 組成式: | C24 H27 Cl N4 O4 | | SMILES: | CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC | | InChi: | InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30) | | 定義日: | 2022-11-07 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
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 | | Q3U | | 表記: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea | | 組成式: | C12 H11 Cl N4 O | | SMILES: | O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18) | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea |
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 | | NMC | | 表記: | N-CYCLOPROPYLMETHYL GLYCINE | | 組成式: | C6 H11 N O2 | | SMILES: | O=C(O)CNCC1CC1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9) | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | N-(cyclopropylmethyl)glycine |
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 | | OGC | | 表記: | gamma-N-methyl-beta-OH-histidine | | 組成式: | C7 H11 N3 O3 | | SMILES: | Cn1cncc1[CH](O)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1 | | 別名: | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid | | 定義日: | 2022-09-07 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-08-16 | | 識別子（ID）: | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid |
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 | | OGF | | 表記: | 2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | | 組成式: | C21 H20 N6 O2 S | | SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1 | | InChi: | InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29) | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |
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 | | TRM | | 表記: | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | | 組成式: | C8 H6 N2 O2 | | SMILES: | O=C(O)c2nc1ccccc1n2 | | InChi: | InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) | | 定義日: | 2000-09-12 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 1H-benzimidazole-2-carboxylic acid |
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 | | UZA | | 表記: | (2S,6E)-2-amino-2-methylnon-6-enoic acid | | 組成式: | C10 H19 N O2 | | SMILES: | NC(C(=O)O)(C)CCCC=CCC | | InChi: | InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1 | | 定義日: | 2020-06-08 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-07-22 | | 識別子（ID）: | (2S,6E)-2-amino-2-methylnon-6-enoic acid |
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 | | U6A | | 表記: | N-carboxy-L-threonine | | 組成式: | C5 H9 N O5 | | SMILES: | C(NC(C(C)O)C(=O)O)(O)=O | | InChi: | InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1 | | 定義日: | 2020-04-27 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-09-23 | | 識別子（ID）: | N-carboxy-L-threonine |
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 | | TRN | | 表記: | NZ2-TRYPTOPHAN | | 組成式: | C10 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc2c1cccnc1nc2 | | InChi: | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
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 | | X9H | | 表記: | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide | | 組成式: | C23 H20 N6 O | | SMILES: | C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1 | | InChi: | InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1 | | 定義日: | 2022-11-07 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide |
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 | | TRO | | 表記: | 2-HYDROXY-TRYPTOPHAN | | 組成式: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2O | | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 2-hydroxy-L-tryptophan |
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 | | XPC | | 表記: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid | | 組成式: | C5 H10 N2 O2 | | SMILES: | O=C(O)C1CNCC1N | | InChi: | InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1 | | 別名: | (3R,4S)-3-Aminopyrrolidine-4-carboxylic acid | | 定義日: | 2008-02-05 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid |
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 | | TRP | | 表記: | TRYPTOPHAN | | 組成式: | C11 H12 N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | L-tryptophan |
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 | | NMI | | 表記: | 3-(1-methyl-1H-indol-3-yl)propanoic acid | | 組成式: | C12 H13 N O2 | | SMILES: | O=C(O)CCc2c1ccccc1n(c2)C | | InChi: | InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15) | | 定義日: | 2014-04-07 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-06-18 | | 識別子（ID）: | 3-(1-methyl-1H-indol-3-yl)propanoic acid |
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 | | TRQ | | 表記: | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID | | 組成式: | C11 H10 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 | | InChi: | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine |
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 | | NMK | | 表記: | N-methyl Lysine | | 組成式: | C7 H17 N2 O2 | | SMILES: | CN[CH](CCCC[NH3+])C(O)=O | | InChi: | InChI=1S/C7H16N2O2/c1-9-6(7(10)11)4-2-3-5-8/h6,9H,2-5,8H2,1H3,(H,10,11)/p+1/t6-/m0/s1 | | 定義日: | 2018-10-10 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-01-16 | | 識別子（ID）: | [(5~{S})-5-(methylamino)-6-oxidanyl-6-oxidanylidene-hexyl]azanium |
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 | | ZS8 | | 表記: | (2S)-2-amino-2-methyldec-8-ynoic acid | | 組成式: | C11 H19 N O2 | | SMILES: | NC(C(=O)O)(C)CCCCCC#CC | | InChi: | InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1 | | 定義日: | 2016-04-06 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-10-19 | | 識別子（ID）: | (2S)-2-amino-2-methyldec-8-ynoic acid |
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 | | OGO | | 表記: | 4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one | | 組成式: | C20 H18 N2 O4 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1 | | InChi: | InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23) | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one |
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