![ZJ1 ZJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJ1.svg) | ZJ1 | 表記: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide | 組成式: | C25 H35 N3 O3 S | SMILES: | CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC | InChi: | InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1 | 定義日: | 2021-04-29 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide |
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![XFS XFS](https://data.pdbj.org/pdbjplus/data/cc/svg/XFS.svg) | XFS | 表記: | 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid | 組成式: | C20 H14 O5 | SMILES: | c1(cc(ccc1)C(O)=O)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3 | InChi: | InChI=1S/C20H14O5/c1-12-5-7-17-15(9-12)16(11-19(21)22)18(25-17)8-6-13-3-2-4-14(10-13)20(23)24/h2-5,7,9-10H,11H2,1H3,(H,21,22)(H,23,24) | 定義日: | 2020-12-16 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid |
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![XHY XHY](https://data.pdbj.org/pdbjplus/data/cc/svg/XHY.svg) | XHY | 表記: | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid | 組成式: | C20 H14 O5 | SMILES: | c1(ccc(C(O)=O)cc1)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3 | InChi: | InChI=1S/C20H14O5/c1-12-2-8-17-15(10-12)16(11-19(21)22)18(25-17)9-5-13-3-6-14(7-4-13)20(23)24/h2-4,6-8,10H,11H2,1H3,(H,21,22)(H,23,24) | 定義日: | 2020-12-17 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid |
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![G5R G5R](https://data.pdbj.org/pdbjplus/data/cc/svg/G5R.svg) | G5R | 表記: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea | 組成式: | C27 H41 N5 O4 | SMILES: | COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C | InChi: | InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33) | 定義日: | 2020-07-28 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea |
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![T3B T3B](https://data.pdbj.org/pdbjplus/data/cc/svg/T3B.svg) | T3B | 表記: | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide | 組成式: | C30 H31 N5 O5 S2 | SMILES: | CC(C)C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)[S](=O)(=O)Nc4ccccc4 | InChi: | InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36) | 定義日: | 2020-12-14 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide |
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![C7A C7A](https://data.pdbj.org/pdbjplus/data/cc/svg/C7A.svg) | C7A | 表記: | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | 組成式: | C25 H32 Cl N3 O2 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC1CCCCC1 | InChi: | InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1 | 定義日: | 2021-04-29 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide |
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![J9F J9F](https://data.pdbj.org/pdbjplus/data/cc/svg/J9F.svg) | J9F | 表記: | (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | 組成式: | C10 H9 N O3 S | SMILES: | OC(=O)[CH]1CSC(=N1)c2ccccc2O | InChi: | InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1 | 定義日: | 2021-04-28 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (4~{S})-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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![FEY FEY](https://data.pdbj.org/pdbjplus/data/cc/svg/FEY.svg) | FEY | 表記: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C30 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28+/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FHS FHS](https://data.pdbj.org/pdbjplus/data/cc/svg/FHS.svg) | FHS | 表記: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | 組成式: | C30 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28-/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FIK FIK](https://data.pdbj.org/pdbjplus/data/cc/svg/FIK.svg) | FIK | 表記: | (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C24 H40 N4 O9 S | SMILES: | O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22-/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FIW FIW](https://data.pdbj.org/pdbjplus/data/cc/svg/FIW.svg) | FIW | 表記: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C24 H40 N4 O9 S | SMILES: | O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22+/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FN2 FN2](https://data.pdbj.org/pdbjplus/data/cc/svg/FN2.svg) | FN2 | 表記: | (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C28 H40 N4 O9 S | SMILES: | O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26-/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FP8 FP8](https://data.pdbj.org/pdbjplus/data/cc/svg/FP8.svg) | FP8 | 表記: | (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C28 H40 N4 O9 S | SMILES: | O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26+/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FV5 FV5](https://data.pdbj.org/pdbjplus/data/cc/svg/FV5.svg) | FV5 | 表記: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C23 H40 N4 O10 S2 | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FVE FVE](https://data.pdbj.org/pdbjplus/data/cc/svg/FVE.svg) | FVE | 表記: | (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C23 H40 N4 O10 S2 | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21-/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FWI FWI](https://data.pdbj.org/pdbjplus/data/cc/svg/FWI.svg) | FWI | 表記: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid | 組成式: | C23 H38 N4 O10 S | SMILES: | CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
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![FZI FZI](https://data.pdbj.org/pdbjplus/data/cc/svg/FZI.svg) | FZI | 表記: | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid | 組成式: | C23 H38 N4 O10 S | SMILES: | CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1 | 定義日: | 2021-12-15 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
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![0XI 0XI](https://data.pdbj.org/pdbjplus/data/cc/svg/0XI.svg) | 0XI | 表記: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate | 組成式: | C10 H13 O4 P | SMILES: | C/C(=CCOP(=O)(O)O)c1ccccc1 | InChi: | InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+ | 定義日: | 2021-06-18 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate |
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![EW9 EW9](https://data.pdbj.org/pdbjplus/data/cc/svg/EW9.svg) | EW9 | 表記: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C27 H46 N4 O10 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H46N4O10S/c1-16(2)12-19(22(33)29-20(23(34)42(37,38)39)13-17-6-9-28-21(17)32)30-24(35)40-18-14-27(15-18)7-10-31(11-8-27)25(36)41-26(3,4)5/h16-20,23,34H,6-15H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)(H,37,38,39)/t17-,19-,20-,23-/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![F5L F5L](https://data.pdbj.org/pdbjplus/data/cc/svg/F5L.svg) | F5L | 表記: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C26 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24+/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![F8C F8C](https://data.pdbj.org/pdbjplus/data/cc/svg/F8C.svg) | F8C | 表記: | (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C26 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24-/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![4R2 4R2](https://data.pdbj.org/pdbjplus/data/cc/svg/4R2.svg) | 4R2 | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(~{E})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | 組成式: | C32 H42 N12 O16 P2 | SMILES: | N=C(N)NCC=CC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2 | InChi: | InChI=1S/C32H42N12O16P2/c1-13-6-15-16(7-14(13)2)44(20(47)4-3-5-36-31(34)35)22-28(40-32(52)41-29(22)51)42(15)8-17(45)23(48)18(46)9-57-61(53,54)60-62(55,56)58-10-19-24(49)25(50)30(59-19)43-12-39-21-26(33)37-11-38-27(21)43/h3-4,6-7,11-12,17-19,23-25,30,45-46,48-50H,5,8-10H2,1-2H3,(H,53,54)(H,55,56)(H2,33,37,38)(H4,34,35,36)(H2,40,41,51,52)/b4-3+/t17-,18+,19+,23-,24+,25+,30+/m0/s1 | 定義日: | 2021-07-13 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[(2E)-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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![EJB EJB](https://data.pdbj.org/pdbjplus/data/cc/svg/EJB.svg) | EJB | 表記: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 組成式: | C23 H32 N6 O3 S | SMILES: | CCc1ncccc1CNCCCCSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C23H32N6O3S/c1-2-17-15(6-5-9-26-17)12-25-8-3-4-11-33-13-18-19(30)20(31)23(32-18)29-10-7-16-21(24)27-14-28-22(16)29/h5-7,9-10,14,18-20,23,25,30-31H,2-4,8,11-13H2,1H3,(H2,24,27,28)/t18-,19-,20-,23-/m1/s1 | 定義日: | 2021-12-08 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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![EO6 EO6](https://data.pdbj.org/pdbjplus/data/cc/svg/EO6.svg) | EO6 | 表記: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C23 H37 N5 O8 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21+/m0/s1 | 定義日: | 2021-12-10 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![EQS EQS](https://data.pdbj.org/pdbjplus/data/cc/svg/EQS.svg) | EQS | 表記: | (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C23 H37 N5 O8 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21-/m0/s1 | 定義日: | 2021-12-10 | 最終更新日: | 2021-12-17 | 公開日: | 2021-12-22 | 識別子(ID): | (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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