![WC9 WC9](https://data.pdbj.org/pdbjplus/data/cc/svg/WC9.svg) | WC9 | 表記: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | 組成式: | C25 H42 N2 O6 S | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCCC=CC1C)C(O)C(O)C2O | InChi: | InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1 | 定義日: | 2023-09-29 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
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![YQU YQU](https://data.pdbj.org/pdbjplus/data/cc/svg/YQU.svg) | YQU | 表記: | (5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid | 組成式: | C23 H19 Cl N2 O2 | SMILES: | Cc1ccc(c2cc3ncn(CCc4ccccc4)c3c(c2)C(=O)O)c(Cl)c1 | InChi: | InChI=1S/C23H19ClN2O2/c1-15-7-8-18(20(24)11-15)17-12-19(23(27)28)22-21(13-17)25-14-26(22)10-9-16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,27,28) | 定義日: | 2023-02-15 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid |
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![YQZ YQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YQZ.svg) | YQZ | 表記: | (8R)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 組成式: | C21 H21 N5 O | SMILES: | O=C1C=C(Nc2nc(nn12)NCc1ccc(cc1)c1ccccc1)CCC | InChi: | InChI=1S/C21H21N5O/c1-2-6-18-13-19(27)26-21(23-18)24-20(25-26)22-14-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h3-5,7-13H,2,6,14H2,1H3,(H2,22,23,24,25) | 定義日: | 2023-02-15 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (8R)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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![UZX UZX](https://data.pdbj.org/pdbjplus/data/cc/svg/UZX.svg) | UZX | 表記: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide | 組成式: | C14 H11 Cl2 N3 O2 | SMILES: | NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2 | InChi: | InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21) | 定義日: | 2023-02-17 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide |
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![YR6 YR6](https://data.pdbj.org/pdbjplus/data/cc/svg/YR6.svg) | YR6 | 表記: | (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | 組成式: | C19 H14 F N5 O5 S | SMILES: | Cc1oncc1C(/O)=C(C#N)C(=O)Nc1nc(c2cccc(F)c2)c(cn1)S(C)(=O)=O | InChi: | InChI=1S/C19H14FN5O5S/c1-10-14(8-23-30-10)17(26)13(7-21)18(27)25-19-22-9-15(31(2,28)29)16(24-19)11-4-3-5-12(20)6-11/h3-6,8-9,26H,1-2H3,(H,22,24,25,27)/b17-13- | 定義日: | 2023-02-15 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide |
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![ULC ULC](https://data.pdbj.org/pdbjplus/data/cc/svg/ULC.svg) | ULC | 表記: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | 組成式: | C18 H20 N2 O2 S | SMILES: | COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 | InChi: | InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3 | 定義日: | 2023-02-07 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
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![YRI YRI](https://data.pdbj.org/pdbjplus/data/cc/svg/YRI.svg) | YRI | 表記: | (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one | 組成式: | C30 H32 Br2 N4 O3 | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc(Br)c(Br)c3)n(C3CCC(OC)CC3)c2cc1 | InChi: | InChI=1S/C30H32Br2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22+,27-/m0/s1 | 定義日: | 2023-02-16 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one |
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![ULR ULR](https://data.pdbj.org/pdbjplus/data/cc/svg/ULR.svg) | ULR | 表記: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide | 組成式: | C20 H23 F N6 O | SMILES: | CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3 | InChi: | InChI=1S/C20H23FN6O/c1-3-14-11-26(7-6-22-14)15-4-5-16(17(21)8-15)20(28)25-18-12-27-10-13(2)24-19(27)9-23-18/h4-5,8-10,12,14,22H,3,6-7,11H2,1-2H3,(H,25,28)/t14-/m0/s1 | 別名: | SMN-CY | 定義日: | 2023-02-07 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide |
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![V0F V0F](https://data.pdbj.org/pdbjplus/data/cc/svg/V0F.svg) | V0F | 表記: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione | 組成式: | C18 H23 N O4 | SMILES: | C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)N1 | InChi: | InChI=1S/C18H23NO4/c1-12-6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)19-12/h3,7,10-12,21-22H,2,4-6,8-9H2,1H3,(H,19,23)/b7-3+/t12-/m0/s1 | 定義日: | 2023-02-20 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
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![ZWG ZWG](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWG.svg) | ZWG | 表記: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide | 組成式: | C19 H22 N4 O | SMILES: | CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12 | InChi: | InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1 | 定義日: | 2023-04-11 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide |
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![YTU YTU](https://data.pdbj.org/pdbjplus/data/cc/svg/YTU.svg) | YTU | 表記: | (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 組成式: | C19 H14 F3 N5 O | SMILES: | FC(F)(F)C1=CC(=O)n2nc(nc2N1)NCc1ccc(cc1)c1ccccc1 | InChi: | InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-16(28)27-18(24-15)25-17(26-27)23-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,23,24,25,26) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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![YU2 YU2](https://data.pdbj.org/pdbjplus/data/cc/svg/YU2.svg) | YU2 | 表記: | (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid | 組成式: | C19 H16 Br N3 O4 | SMILES: | Cn1nc(cc1C(=O)O)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1 | InChi: | InChI=1S/C19H16BrN3O4/c1-23-16(19(26)27)9-15(22-23)12-4-2-3-11(7-12)10-21-18(25)14-8-13(20)5-6-17(14)24/h2-9,24H,10H2,1H3,(H,21,25)(H,26,27) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid |
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![YU6 YU6](https://data.pdbj.org/pdbjplus/data/cc/svg/YU6.svg) | YU6 | 表記: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid | 組成式: | C27 H27 Cl N4 O2 | SMILES: | Cc1ccc(c(Cl)c1)c1cc2nc([NH]c2c(c1)C(=O)O)CN1CCN(CC1)Cc1ccccc1 | InChi: | InChI=1S/C27H27ClN4O2/c1-18-7-8-21(23(28)13-18)20-14-22(27(33)34)26-24(15-20)29-25(30-26)17-32-11-9-31(10-12-32)16-19-5-3-2-4-6-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,29,30)(H,33,34) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid |
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![YUB YUB](https://data.pdbj.org/pdbjplus/data/cc/svg/YUB.svg) | YUB | 表記: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 組成式: | C19 H16 Cl F N6 O | SMILES: | Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl | InChi: | InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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![YUF YUF](https://data.pdbj.org/pdbjplus/data/cc/svg/YUF.svg) | YUF | 表記: | (5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid | 組成式: | C21 H15 Cl N2 O2 | SMILES: | Cc1ccc(c2cc3ncn(c3c(c2)C(=O)O)c2ccccc2)c(Cl)c1 | InChi: | InChI=1S/C21H15ClN2O2/c1-13-7-8-16(18(22)9-13)14-10-17(21(25)26)20-19(11-14)23-12-24(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,25,26) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid |
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![YUO YUO](https://data.pdbj.org/pdbjplus/data/cc/svg/YUO.svg) | YUO | 表記: | (5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid | 組成式: | C19 H20 Cl N3 O4 S | SMILES: | Cc1ccc(c2cc3ncn(CCCNS(C)(=O)=O)c3c(c2)C(=O)O)c(Cl)c1 | InChi: | InChI=1S/C19H20ClN3O4S/c1-12-4-5-14(16(20)8-12)13-9-15(19(24)25)18-17(10-13)21-11-23(18)7-3-6-22-28(2,26)27/h4-5,8-11,22H,3,6-7H2,1-2H3,(H,24,25) | 定義日: | 2023-02-21 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid |
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![ZHX ZHX](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHX.svg) | ZHX | 表記: | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide | 組成式: | C16 H21 N3 O2 | SMILES: | CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2 | InChi: | InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20) | 定義日: | 2023-06-23 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide |
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![WG5 WG5](https://data.pdbj.org/pdbjplus/data/cc/svg/WG5.svg) | WG5 | 表記: | 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid | 組成式: | C18 H10 F3 N O3 S2 | SMILES: | S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F | InChi: | InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8- | 定義日: | 2023-10-03 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid |
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![XG3 XG3](https://data.pdbj.org/pdbjplus/data/cc/svg/XG3.svg) | XG3 | 表記: | N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea | 組成式: | C14 H9 Cl2 F3 N2 O2 | SMILES: | Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F | InChi: | InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23) | 定義日: | 2023-11-01 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea |
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![C55 C55](https://data.pdbj.org/pdbjplus/data/cc/svg/C55.svg) | C55 | 表記: | (7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid | 組成式: | C8 H11 N3 O7 | SMILES: | O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O | InChi: | InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+ | 定義日: | 2024-02-15 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name) |
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![U7M U7M](https://data.pdbj.org/pdbjplus/data/cc/svg/U7M.svg) | U7M | 表記: | 1-butyl-3-(4-sulfamoylphenyl)urea | 組成式: | C11 H17 N3 O3 S | SMILES: | CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O | InChi: | InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15) | 別名: | 4-(3-butylureido)benzenesulfonamide | 定義日: | 2023-01-27 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 1-butyl-3-(4-sulfamoylphenyl)urea |
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![UA9 UA9](https://data.pdbj.org/pdbjplus/data/cc/svg/UA9.svg) | UA9 | 表記: | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate | 組成式: | C40 H56 N4 O7 | SMILES: | COC1=CC(=O)N([CH]1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc3)N(C)C | InChi: | InChI=1S/C40H56N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-18,25-28,31-33,35H,19-24H2,1-8H3,(H,41,47)(H,42,48)/t28-,31-,32-,33-,35-/m0/s1 | 定義日: | 2023-01-31 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate |
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![UE0 UE0](https://data.pdbj.org/pdbjplus/data/cc/svg/UE0.svg) | UE0 | 表記: | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid | 組成式: | C15 H19 N O3 | SMILES: | CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2 | InChi: | InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1 | 定義日: | 2023-02-01 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid |
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![A1H4B A1H4B](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H4B.svg) | A1H4B | 表記: | 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid | 組成式: | C23 H22 N6 O5 S | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccnc5)C(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C23H22N6O5S/c24-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(34-22)9-35-8-12-4-14(6-15(5-12)23(32)33)13-2-1-3-25-7-13/h1-7,10-11,16,18-19,22,30-31H,8-9H2,(H,32,33)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1 | 別名: | 3-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-5-(pyridin-3-yl)benzoic acid | 定義日: | 2024-02-13 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid |
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![I6I I6I](https://data.pdbj.org/pdbjplus/data/cc/svg/I6I.svg) | I6I | 表記: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid | 組成式: | C32 H38 F N7 O12 | SMILES: | O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2NC(N)=NC(=O)c21)C(=O)O)C(=O)O | InChi: | InChI=1S/C32H38FN7O12/c33-18-15-16(3-1-2-13-40-14-12-19-26(40)28(46)39-32(34)38-19)4-5-17(18)27(45)37-22(31(51)52)7-10-24(42)35-20(29(47)48)6-9-23(41)36-21(30(49)50)8-11-25(43)44/h4-5,12,14-15,20-22H,1-3,6-11,13H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H3,34,38,39,46)/t20-,21+,22+/m0/s1 | 定義日: | 2023-07-27 | 最終更新日: | 2024-02-16 | 公開日: | 2024-02-21 | 識別子(ID): | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid |
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