| XFW | 表記: | (2S)-2,5,5-tris(azanyl)pentanoic acid | 組成式: | C5 H13 N3 O2 | SMILES: | O=C(O)C(N)CCC(N)N | InChi: | InChI=1S/C5H13N3O2/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2,6-8H2,(H,9,10)/t3-/m0/s1 | 定義日: | 2013-05-03 | 最終更新日: | 2023-11-03 | 公開日: | 2014-09-17 | 識別子(ID): | 5-amino-L-ornithine |
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| URL | 表記: | [(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid | 組成式: | C7 H16 N2 O2 | SMILES: | CC(C)C[CH](N)CNC(O)=O | InChi: | InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1 | 定義日: | 2018-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2021-02-17 | 識別子(ID): | [(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid |
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| VM9 | 表記: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine | 組成式: | C29 H31 Cl F5 N7 O | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1 | 定義日: | 2023-09-13 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine |
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| XXY | 表記: | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate | 組成式: | C12 H16 N5 O4 | SMILES: | [O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2 | InChi: | InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1 | 別名: | CHROMOPHORE THR-HIS-GLY | 定義日: | 2006-02-10 | 最終更新日: | 2023-11-03 | 識別子(ID): | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate |
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| ZYJ | 表記: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | 組成式: | C14 H18 N2 O5 | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | 定義日: | 2010-10-22 | 最終更新日: | 2023-11-03 | 識別子(ID): | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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| ZYK | 表記: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | 組成式: | C14 H18 N2 O6 | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | 別名: | 3,4-dimethoxybenzamidoxy proline | 定義日: | 2010-10-22 | 最終更新日: | 2023-11-03 | 識別子(ID): | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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| VME | 表記: | METHYL L-VALINATE | 組成式: | C6 H13 N O2 | SMILES: | O=C(OC)C(N)C(C)C | InChi: | InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1 | 別名: | O-METHYLVALINE | 定義日: | 2006-11-11 | 最終更新日: | 2023-11-03 | 識別子(ID): | methyl L-valinate |
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| XY1 | 表記: | 4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid | 組成式: | C15 H15 N3 O3 | SMILES: | O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2 | InChi: | InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+ | 別名: | 4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid | 定義日: | 2013-03-12 | 最終更新日: | 2023-11-03 | 公開日: | 2014-03-26 | 識別子(ID): | 4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid |
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| URV | 表記: | [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid | 組成式: | C6 H14 N2 O2 | SMILES: | CC(C)[CH](N)CNC(O)=O | InChi: | InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1 | 定義日: | 2019-10-12 | 最終更新日: | 2023-11-03 | 公開日: | 2021-02-17 | 識別子(ID): | [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid |
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| KMF | 表記: | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide | 組成式: | C19 H23 N3 O2 | SMILES: | CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1 | InChi: | InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24) | 定義日: | 2023-08-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide |
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| XYC | 表記: | (2~{S})-2-azanyl-3-cyclopentyl-propanoic acid | 組成式: | C8 H15 N O2 | SMILES: | N[CH](CC1CCCC1)C(O)=O | InChi: | InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | 定義日: | 2016-06-10 | 最終更新日: | 2023-11-03 | 公開日: | 2017-05-31 | 識別子(ID): | (2~{S})-2-azanyl-3-cyclopentyl-propanoic acid |
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| XYG | 表記: | [(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | 組成式: | C14 H13 N3 O4 | SMILES: | O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+ | 別名: | CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY) | 定義日: | 2006-11-16 | 最終更新日: | 2023-11-03 | 識別子(ID): | {(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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| ZHW | 表記: | (1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate | 組成式: | C9 H10 F N O3 S | SMILES: | FS(=O)(=O)Oc1cccc2c1CCC2N | InChi: | InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1 | 定義日: | 2023-03-10 | 最終更新日: | 2023-11-03 | 公開日: | 2023-07-05 | 識別子(ID): | (1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate |
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| USC | 表記: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid | 組成式: | C9 H9 N O6 S | SMILES: | O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C | InChi: | InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) | 定義日: | 2011-12-08 | 最終更新日: | 2023-11-03 | 公開日: | 2013-01-11 | 識別子(ID): | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid |
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| KMX | 表記: | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one | 組成式: | C17 H21 N3 O S | SMILES: | CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1 | InChi: | InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3 | 定義日: | 2023-08-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one |
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| XYX | 表記: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide | 組成式: | C24 H23 B N O5 | SMILES: | CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 | InChi: | InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1 | 定義日: | 2023-06-09 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide |
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| 0QE | 表記: | chloromethane | 組成式: | C H3 Cl | SMILES: | ClC | InChi: | InChI=1S/CH3Cl/c1-2/h1H3 | 別名: | Chloro Methyl group | 定義日: | 2008-12-08 | 最終更新日: | 2023-11-03 | 識別子(ID): | chloromethane |
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| V7T | 表記: | (2R)-6-azanyl-2-carbamimidamido-hexanoic acid | 組成式: | C7 H16 N4 O2 | SMILES: | NCCCC[CH](NC(N)=N)C(O)=O | InChi: | InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1 | 定義日: | 2021-04-23 | 最終更新日: | 2023-11-03 | 公開日: | 2022-04-06 | 識別子(ID): | (2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid |
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| ZIQ | 表記: | alpha-methyl-L-tryptophan | 組成式: | C12 H14 N2 O2 | SMILES: | NC(C(O)=O)(Cc1cnc2c1cccc2)C | InChi: | InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1 | 定義日: | 2018-06-13 | 最終更新日: | 2023-11-03 | 公開日: | 2020-01-01 | 識別子(ID): | alpha-methyl-L-tryptophan |
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| XZA | 表記: | diazanecarboxylic acid | 組成式: | C H4 N2 O2 | SMILES: | NNC(O)=O | InChi: | InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5) | 定義日: | 2016-06-03 | 最終更新日: | 2023-11-03 | 公開日: | 2017-06-28 | 識別子(ID): | diazanecarboxylic acid |
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| XZC | 表記: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide | 組成式: | C23 H23 B N O5 | SMILES: | COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 | InChi: | InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1 | 定義日: | 2023-06-09 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide |
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| ZZU | 表記: | (2S,3S)-3-HYDROXYARGININE | 組成式: | C6 H14 N4 O3 | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | 定義日: | 2009-03-02 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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| 0QZ | 表記: | D-Isoserine | 組成式: | C3 H7 N O3 | SMILES: | O=C(O)C(O)CN | InChi: | InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1 | 別名: | (2R)-3-amino-2-hydroxypropanoic acid | 定義日: | 2012-08-23 | 最終更新日: | 2023-11-03 | 公開日: | 2014-05-07 | 識別子(ID): | (2R)-3-amino-2-hydroxypropanoic acid |
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| KNU | 表記: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide | 組成式: | C10 H11 Cl F N O | SMILES: | Fc1cc(cc(Cl)c1)C(C)NC(C)=O | InChi: | InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1 | 定義日: | 2023-08-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide |
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| VNW | 表記: | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid | 組成式: | C11 H10 N2 O2 Se | SMILES: | C[Se]c1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | 定義日: | 2023-09-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-10-11 | 識別子(ID): | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid |
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