![9E7 9E7](https://data.pdbj.org/pdbjplus/data/cc/svg/9E7.svg) | 9E7 | 表記: | N~6~-(sulfanylmethyl)-L-lysine | 組成式: | C7 H16 N2 O2 S | SMILES: | C(O)(C(N)CCCCNCS)=O | InChi: | InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1 | 定義日: | 2017-04-24 | 最終更新日: | 2024-04-24 | 公開日: | 2018-04-25 | 識別子(ID): | N~6~-(sulfanylmethyl)-L-lysine |
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![DBB DBB](https://data.pdbj.org/pdbjplus/data/cc/svg/DBB.svg) | DBB | 表記: | D-ALPHA-AMINOBUTYRIC ACID | 組成式: | C4 H9 N O2 | SMILES: | O=C(O)C(N)CC | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | 定義日: | 2008-10-17 | 最終更新日: | 2024-04-24 | 識別子(ID): | (2R)-2-aminobutanoic acid |
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![WRC WRC](https://data.pdbj.org/pdbjplus/data/cc/svg/WRC.svg) | WRC | 表記: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide | 組成式: | C20 H21 F3 N2 O3 | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO | InChi: | InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1 | 定義日: | 2023-05-17 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide |
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![Z50 Z50](https://data.pdbj.org/pdbjplus/data/cc/svg/Z50.svg) | Z50 | 表記: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid | 組成式: | C16 H22 N4 O2 S2 | SMILES: | Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2 | InChi: | InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22) | 別名: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid |
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![ZQF ZQF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQF.svg) | ZQF | 表記: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | 組成式: | C38 H42 N4 O10 S2 | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | 定義日: | 2023-03-20 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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![TT9 TT9](https://data.pdbj.org/pdbjplus/data/cc/svg/TT9.svg) | TT9 | 表記: | [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate | 組成式: | C9 H15 N3 O11 P2 S | SMILES: | NC1=NC(=O)N(C=C1)[CH]2S[C](CO)(O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C9H15N3O11P2S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(3-13,26-7)22-25(20,21)23-24(17,18)19/h1-2,5-7,13-15H,3H2,(H,20,21)(H2,10,11,16)(H2,17,18,19)/t5-,6+,7-,9+/m1/s1 | 定義日: | 2023-04-29 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate |
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![X9W X9W](https://data.pdbj.org/pdbjplus/data/cc/svg/X9W.svg) | X9W | 表記: | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid | 組成式: | C4 H9 O4 P | SMILES: | O=C(O)C(O)P(C)(C)=O | InChi: | InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1 | 定義日: | 2023-10-26 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid |
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![XAI XAI](https://data.pdbj.org/pdbjplus/data/cc/svg/XAI.svg) | XAI | 表記: | (2R)-2,3-dihydroxy-3-methylbutanoic acid | 組成式: | C5 H10 O4 | SMILES: | O=C(O)C(O)C(C)(C)O | InChi: | InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1 | 定義日: | 2023-10-26 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (2R)-2,3-dihydroxy-3-methylbutanoic acid |
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![WVQ WVQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WVQ.svg) | WVQ | 表記: | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine | 組成式: | C10 H14 N5 O8 P | SMILES: | O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C/2=NC=O)CC1O | InChi: | InChI=1S/C10H14N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-6,17H,1-2H2,(H2,19,20,21)(H3,11,13,14,15,18)/b12-7+/t4-,5+,6+/m0/s1 | 定義日: | 2023-10-16 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
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![Z9J Z9J](https://data.pdbj.org/pdbjplus/data/cc/svg/Z9J.svg) | Z9J | 表記: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid | 組成式: | C13 H19 N O2 S2 | SMILES: | NCCSCc1cccc(CSCCC(O)=O)c1 | InChi: | InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16) | 別名: | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid |
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![XS0 XS0](https://data.pdbj.org/pdbjplus/data/cc/svg/XS0.svg) | XS0 | 表記: | namodenoson | 組成式: | C18 H18 Cl I N6 O4 | SMILES: | CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23 | InChi: | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | 別名: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide | 定義日: | 2023-11-09 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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![TV0 TV0](https://data.pdbj.org/pdbjplus/data/cc/svg/TV0.svg) | TV0 | 表記: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one | 組成式: | C9 H13 N3 O5 S | SMILES: | NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)[CH]2O | InChi: | InChI=1S/C9H13N3O5S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(17,3-13)18-7/h1-2,5-7,13-15,17H,3H2,(H2,10,11,16)/t5-,6+,7-,9+/m1/s1 | 定義日: | 2023-04-29 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one |
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![VI1 VI1](https://data.pdbj.org/pdbjplus/data/cc/svg/VI1.svg) | VI1 | 表記: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | 組成式: | C20 H27 N O5 S | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC | InChi: | InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1 | 定義日: | 2023-09-12 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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![TW3 TW3](https://data.pdbj.org/pdbjplus/data/cc/svg/TW3.svg) | TW3 | 表記: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate | 組成式: | C26 H42 N7 O17 P3 S | SMILES: | CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20+,21-,25-/m0/s1 | 定義日: | 2023-05-09 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate |
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![WXU WXU](https://data.pdbj.org/pdbjplus/data/cc/svg/WXU.svg) | WXU | 表記: | 3-hydroxy-3-methyl-2-oxobutanoic acid | 組成式: | C5 H8 O4 | SMILES: | O=C(O)C(=O)C(C)(C)O | InChi: | InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8) | 定義日: | 2023-05-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 3-hydroxy-3-methyl-2-oxobutanoic acid |
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![VY8 VY8](https://data.pdbj.org/pdbjplus/data/cc/svg/VY8.svg) | VY8 | 表記: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea | 組成式: | C12 H19 N3 O S | SMILES: | COc1ccccc1NC(=S)NCCN(C)C | InChi: | InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17) | 定義日: | 2023-04-13 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea |
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![YRV YRV](https://data.pdbj.org/pdbjplus/data/cc/svg/YRV.svg) | YRV | 表記: | S-[(3-methylphenyl)methyl]-L-cysteine | 組成式: | C11 H15 N O2 S | SMILES: | O=C(O)C(N)CSCc1cccc(C)c1 | InChi: | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 | 定義日: | 2021-03-29 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | S-[(3-methylphenyl)methyl]-L-cysteine |
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![YV6 YV6](https://data.pdbj.org/pdbjplus/data/cc/svg/YV6.svg) | YV6 | 表記: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate | 組成式: | C24 H36 N4 O6 S | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C | InChi: | InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1 | 定義日: | 2023-02-22 | 最終更新日: | 2024-04-19 | 公開日: | 2023-08-16 | 識別子(ID): | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate |
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![YH8 YH8](https://data.pdbj.org/pdbjplus/data/cc/svg/YH8.svg) | YH8 | 表記: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide | 組成式: | C32 H33 F3 N8 O5 | SMILES: | CCC1=C(N2CCN(CC2)C(=O)c3ncccc3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5C)C(F)(F)F)C6=CCOCC6 | InChi: | InChI=1S/C32H33F3N8O5/c1-3-23-27(40-11-13-41(14-12-40)29(46)26-24(44)5-4-10-36-26)30(47)43-31(38-28(39-43)20-8-15-48-16-9-20)42(23)18-25(45)37-22-7-6-21(17-19(22)2)32(33,34)35/h4-8,10,17,44H,3,9,11-16,18H2,1-2H3,(H,37,45) | 定義日: | 2023-06-16 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide |
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![YHC YHC](https://data.pdbj.org/pdbjplus/data/cc/svg/YHC.svg) | YHC | 表記: | ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | 組成式: | C31 H31 Cl F3 N9 O5 | SMILES: | CCC1=C(N2CCN(CC2)C(=O)c3ncnc(C)c3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5Cl)C(F)(F)F)C6=CCOCC6 | InChi: | InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45) | 定義日: | 2023-06-16 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide |
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![ZJU ZJU](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJU.svg) | ZJU | 表記: | N-SUCCINYL-ASPARTIC ACID | 組成式: | C8 H11 N O7 | SMILES: | OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C8H11NO7/c10-5(1-2-6(11)12)9-4(8(15)16)3-7(13)14/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t4-/m0/s1 | 別名: | 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid |
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![ZKO ZKO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKO.svg) | ZKO | 表記: | N-SUCCINYL-GLUTAMINE | 組成式: | C9 H14 N2 O6 | SMILES: | NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O | InChi: | InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1 | 別名: | 5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid |
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![ZLF ZLF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLF.svg) | ZLF | 表記: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE | 組成式: | C11 H14 F N O2 S | SMILES: | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 | InChi: | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 | 別名: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
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![JMR JMR](https://data.pdbj.org/pdbjplus/data/cc/svg/JMR.svg) | JMR | 表記: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide | 組成式: | C12 H15 Br Cl N3 O2 S | SMILES: | N=CN1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 | InChi: | InChI=1S/C12H15BrClN3O2S/c13-12-5-10(14)2-1-9(12)7-20(18,19)16-11-3-4-17(6-11)8-15/h1-2,5,8,11,15-16H,3-4,6-7H2/b15-8-/t11-/m0/s1 | 定義日: | 2023-08-08 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(Z)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide |
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![JR0 JR0](https://data.pdbj.org/pdbjplus/data/cc/svg/JR0.svg) | JR0 | 表記: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide | 組成式: | C34 H39 N7 O5 | SMILES: | O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1 | InChi: | InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42) | 定義日: | 2023-08-08 | 最終更新日: | 2024-04-19 | 公開日: | 2024-04-24 | 識別子(ID): | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide |
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