| FH6 | 表記: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal | 組成式: | C8 H14 N2 O2 S | SMILES: | C[CH]1NC(=O)C[CH]1SC[CH](N)C=O | InChi: | InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1 | 定義日: | 2023-07-19 | 最終更新日: | 2024-07-10 | 公開日: | 2024-05-08 | 識別子(ID): | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
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| VTM | 表記: | [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | 組成式: | C22 H25 F3 N5 O3 P S | SMILES: | CSc1ccc(CO[P](C)(O)=O)cc1Nc2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4CNC[CH]4C3 | InChi: | InChI=1S/C22H25F3N5O3PS/c1-34(31,32)33-12-13-3-4-19(35-2)18(5-13)28-21-16(7-26)17(22(23,24)25)6-20(29-21)30-10-14-8-27-9-15(14)11-30/h3-6,14-15,27H,8-12H2,1-2H3,(H,28,29)(H,31,32)/t14-,15+ | 定義日: | 2023-03-31 | 最終更新日: | 2024-07-05 | 公開日: | 2024-07-10 | 識別子(ID): | [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid |
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| ZX4 | 表記: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | 組成式: | C25 H32 N10 O6 S | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | 定義日: | 2023-04-17 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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| A1ATQ | 表記: | ~{N}-[4-oxidanylidene-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazol-2-yl]naphthalene-1-sulfonamide | 組成式: | C26 H18 N2 O4 S2 | SMILES: | O=C1N=C(NS(=O)(=O)c2cccc3ccccc32)SC1=C/c1ccccc1Oc1ccccc1 | InChi: | InChI=1S/C26H18N2O4S2/c29-25-23(17-19-10-5-7-15-22(19)32-20-12-2-1-3-13-20)33-26(27-25)28-34(30,31)24-16-8-11-18-9-4-6-14-21(18)24/h1-17H,(H,27,28,29)/b23-17- | 定義日: | 2024-05-30 | 最終更新日: | 2024-06-21 | 公開日: | 2024-06-26 | 識別子(ID): | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-1-sulfonamide |
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| A1ATR | 表記: | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide | 組成式: | C26 H18 N2 O4 S2 | SMILES: | O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)SC1=C/c1ccccc1Oc1ccccc1 | InChi: | InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17- | 定義日: | 2024-05-30 | 最終更新日: | 2024-06-21 | 公開日: | 2024-06-26 | 識別子(ID): | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide |
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| A1AFC | 表記: | 2,4,5-trimethyl-1,3-thiazole | 組成式: | C6 H9 N S | SMILES: | Cc1sc(C)nc1C | InChi: | InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3 | 定義日: | 2024-02-22 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | 2,4,5-trimethyl-1,3-thiazole |
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| A1H0M | 表記: | 6-bromanyl-1,3-benzothiazol-2-amine | 組成式: | C7 H5 Br N2 S | SMILES: | Nc1sc2cc(Br)ccc2n1 | InChi: | InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) | 定義日: | 2023-12-15 | 最終更新日: | 2024-06-14 | 公開日: | 2024-06-19 | 識別子(ID): | 6-bromanyl-1,3-benzothiazol-2-amine |
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| A1D67 | 表記: | 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine | 組成式: | C6 H11 N3 S | SMILES: | Cc1nc(N)sc1CCN | InChi: | InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9) | 別名: | Amthamine | 定義日: | 2024-03-29 | 最終更新日: | 2024-05-31 | 公開日: | 2024-06-05 | 識別子(ID): | 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine |
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| EJA | 表記: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine | 組成式: | C6 H10 N2 O5 S | SMILES: | NC(CSC(=N/O)CC(O)=O)C(O)=O | InChi: | InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1 | 定義日: | 2018-01-12 | 最終更新日: | 2024-05-08 | 公開日: | 2018-06-06 | 識別子(ID): | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
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| F9M | 表記: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 組成式: | C25 H23 F3 N8 O S2 | SMILES: | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 | InChi: | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ | 定義日: | 2023-07-04 | 最終更新日: | 2024-05-03 | 公開日: | 2024-05-08 | 識別子(ID): | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
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| A1H6E | 表記: | 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine | 組成式: | C28 H27 Cl2 N3 O2 S2 | SMILES: | Clc1sc2cc(ccc2n1)[S](=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(Cl)c5)c6ccccc6 | InChi: | InChI=1S/C28H27Cl2N3O2S2/c29-24-14-19(6-8-23(24)20-4-2-1-3-5-20)18-31-21-16-28(17-21)10-12-33(13-11-28)37(34,35)22-7-9-25-26(15-22)36-27(30)32-25/h1-9,14-15,21,31H,10-13,16-18H2 | 別名: | GW2331 | 定義日: | 2024-03-20 | 最終更新日: | 2024-04-26 | 公開日: | 2024-05-01 | 識別子(ID): | 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine |
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| A1D64 | 表記: | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid | 組成式: | C9 H12 N2 O2 S | SMILES: | N[CH](CSc1ccc(N)cc1)C(O)=O | InChi: | InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 | 別名: | S-(4-aminophenyl)cysteine | 定義日: | 2024-03-27 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid |
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| WCK | 表記: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine | 組成式: | C18 H20 N6 O S | SMILES: | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | 定義日: | 2023-09-29 | 最終更新日: | 2024-04-12 | 公開日: | 2024-04-17 | 識別子(ID): | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine |
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| Y4E | 表記: | [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol | 組成式: | C10 H12 N2 S2 | SMILES: | SC[CH]1SC[CH]2Nc3ccccc3N12 | InChi: | InChI=1S/C10H12N2S2/c13-5-10-12-8-4-2-1-3-7(8)11-9(12)6-14-10/h1-4,9-11,13H,5-6H2/t9-,10-/m1/s1 | 定義日: | 2023-11-20 | 最終更新日: | 2024-04-05 | 公開日: | 2024-04-10 | 識別子(ID): | [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol |
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| YNZ | 表記: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide | 組成式: | C17 H23 N5 O2 S2 | SMILES: | CC(C)(C)c1nc(cs1)c1sc(NC(=O)N2CCCC2C(N)=O)nc1C | InChi: | InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1 | 定義日: | 2023-12-07 | 最終更新日: | 2024-03-15 | 公開日: | 2024-03-20 | 識別子(ID): | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide |
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| ZLO | 表記: | ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide | 組成式: | C5 H7 N3 O S2 | SMILES: | CSc1nsc(NC(C)=O)n1 | InChi: | InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9) | 定義日: | 2023-06-28 | 最終更新日: | 2024-01-26 | 公開日: | 2024-01-31 | 識別子(ID): | ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide |
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| 8RX | 表記: | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid | 組成式: | C11 H17 N3 O S | SMILES: | SC(=N)N1CC[CH](C1)C(=O)NCCCC#C | InChi: | InChI=1S/C11H17N3OS/c1-2-3-4-6-13-10(15)9-5-7-14(8-9)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)/t9-/m1/s1 | 定義日: | 2023-07-14 | 最終更新日: | 2024-01-26 | 公開日: | 2024-01-31 | 識別子(ID): | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid |
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| 86F | 表記: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide | 組成式: | C12 H19 N3 O S | SMILES: | CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C | InChi: | InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1 | 定義日: | 2023-07-10 | 最終更新日: | 2024-01-26 | 公開日: | 2024-01-31 | 識別子(ID): | methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate |
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| YA6 | 表記: | N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide | 組成式: | C31 H25 F N6 O2 S | SMILES: | CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cccc(c1)CN1c2cc(F)ccc2Nc2ccccc2C1=O | InChi: | InChI=1S/C31H25FN6O2S/c1-18(39)34-27-15-21(12-13-33-27)29-28(36-31(37-29)41-2)20-7-5-6-19(14-20)17-38-26-16-22(32)10-11-25(26)35-24-9-4-3-8-23(24)30(38)40/h3-16,35H,17H2,1-2H3,(H,36,37)(H,33,34,39) | 定義日: | 2023-01-19 | 最終更新日: | 2024-01-12 | 公開日: | 2024-01-17 | 識別子(ID): | N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide |
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| YAA | 表記: | N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide | 組成式: | C31 H25 N7 O3 S | SMILES: | CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cc(ccc1)NC(=O)c1cccc2Nc3ccccc3C(=O)Nc12 | InChi: | InChI=1S/C31H25N7O3S/c1-17(39)33-25-16-19(13-14-32-25)27-26(37-31(38-27)42-2)18-7-5-8-20(15-18)34-30(41)22-10-6-12-24-28(22)36-29(40)21-9-3-4-11-23(21)35-24/h3-16,35H,1-2H3,(H,34,41)(H,36,40)(H,37,38)(H,32,33,39) | 定義日: | 2023-01-19 | 最終更新日: | 2024-01-12 | 公開日: | 2024-01-17 | 識別子(ID): | N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide |
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| UJR | 表記: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | 組成式: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | 別名: | arylated cysteine | 定義日: | 2023-02-06 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
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| T8O | 表記: | 4-[(difluoromethyl)sulfanyl]aniline | 組成式: | C7 H7 F2 N S | SMILES: | FC(F)Sc1ccc(N)cc1 | InChi: | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-[(difluoromethyl)sulfanyl]aniline |
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| LFL | 表記: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol | 組成式: | C21 H25 Cl O5 S | SMILES: | CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1 | InChi: | InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1 | 別名: | Sotagliflozin | 定義日: | 2022-11-18 | 最終更新日: | 2023-11-10 | 公開日: | 2023-11-15 | 識別子(ID): | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol |
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| JFF | 表記: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid | 組成式: | C19 H26 Cl N5 O6 S | SMILES: | NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl | InChi: | InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31) | 定義日: | 2022-08-10 | 最終更新日: | 2023-11-10 | 公開日: | 2023-11-15 | 識別子(ID): | (2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid |
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| ZBZ | 表記: | S-(phenylcarbonyl)-L-cysteine | 組成式: | C10 H11 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | 定義日: | 2010-02-09 | 最終更新日: | 2023-11-03 | 識別子(ID): | S-benzoyl-L-cysteine |
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