![5P0 5P0](https://data.pdbj.org/pdbjplus/data/cc/svg/5P0.svg) | 5P0 | 表記: | (3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione | 組成式: | C12 H20 N2 O5 | SMILES: | C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO | InChi: | InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1 | 定義日: | 2021-08-23 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
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![WMO WMO](https://data.pdbj.org/pdbjplus/data/cc/svg/WMO.svg) | WMO | 表記: | N-(2-methoxyethyl)-4-sulfamoylbenzamide | 組成式: | C10 H14 N2 O4 S | SMILES: | O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC | InChi: | InChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15) | 定義日: | 2022-09-29 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | N-(2-methoxyethyl)-4-sulfamoylbenzamide |
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![5UQ 5UQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5UQ.svg) | 5UQ | 表記: | (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione | 組成式: | C12 H22 N2 O5 | SMILES: | C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O | InChi: | InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1 | 定義日: | 2021-08-24 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
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![5WI 5WI](https://data.pdbj.org/pdbjplus/data/cc/svg/5WI.svg) | 5WI | 表記: | (3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione | 組成式: | C12 H20 N2 O4 | SMILES: | CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO | InChi: | InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1 | 定義日: | 2021-08-24 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione |
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![X7H X7H](https://data.pdbj.org/pdbjplus/data/cc/svg/X7H.svg) | X7H | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 組成式: | C29 H38 Cl N3 O8 S | SMILES: | ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1 | 定義日: | 2022-11-03 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![X8R X8R](https://data.pdbj.org/pdbjplus/data/cc/svg/X8R.svg) | X8R | 表記: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | 組成式: | C10 H16 N2 O2 | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | 定義日: | 2022-11-07 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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![XZF XZF](https://data.pdbj.org/pdbjplus/data/cc/svg/XZF.svg) | XZF | 表記: | Polythiazide | 組成式: | C11 H13 Cl F3 N3 O4 S3 | SMILES: | NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl | InChi: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1 | 別名: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide | 定義日: | 2022-12-15 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide |
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![Y05 Y05](https://data.pdbj.org/pdbjplus/data/cc/svg/Y05.svg) | Y05 | 表記: | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | 組成式: | C41 H38 Cl F6 N9 O5 S | SMILES: | CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1 | InChi: | InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1 | 定義日: | 2022-12-19 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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![FIZ FIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FIZ.svg) | FIZ | 表記: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one | 組成式: | C22 H25 Cl2 N5 O2 | SMILES: | C[CH]1OCC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O)N3C)[CH]1N | InChi: | InChI=1S/C22H25Cl2N5O2/c1-13-19(25)22(12-31-13)7-10-28(11-8-22)21-26-29-9-6-15(18(29)20(30)27(21)2)14-4-3-5-16(23)17(14)24/h3-6,9,13,19H,7-8,10-12,25H2,1-2H3/t13-,19-/m0/s1 | 定義日: | 2022-04-28 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 2-[(3~{S},4~{R})-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one |
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![KL9 KL9](https://data.pdbj.org/pdbjplus/data/cc/svg/KL9.svg) | KL9 | 表記: | 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide | 組成式: | C23 H27 N5 O S | SMILES: | Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1 | InChi: | InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+ | 定義日: | 2022-02-04 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide |
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![KLU KLU](https://data.pdbj.org/pdbjplus/data/cc/svg/KLU.svg) | KLU | 表記: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide | 組成式: | C11 H11 Cl N2 O3 | SMILES: | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O | InChi: | InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1 | 定義日: | 2022-02-04 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
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![KNX KNX](https://data.pdbj.org/pdbjplus/data/cc/svg/KNX.svg) | KNX | 表記: | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine | 組成式: | C27 H36 Cl2 N8 O5 | SMILES: | O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1 | 定義日: | 2022-02-08 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine |
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![KOC KOC](https://data.pdbj.org/pdbjplus/data/cc/svg/KOC.svg) | KOC | 表記: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide | 組成式: | C35 H40 F2 N5 O7 P S2 | SMILES: | O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1nccs1)C(C)(C)C | InChi: | InChI=1S/C35H40F2N5O7PS2/c1-34(2,3)29(39-30(44)27-20-22-19-23(10-13-26(22)52-27)35(36,37)50(47,48)49)33(46)42-16-6-7-25(42)32(45)41(17-14-28(43)40(4)5)24-11-8-21(9-12-24)31-38-15-18-51-31/h8-13,15,18-20,25,29H,6-7,14,16-17H2,1-5H3,(H,39,44)(H2,47,48,49)/t25-,29+/m0/s1 | 別名: | AK2305 | 定義日: | 2022-02-08 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide |
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![KOO KOO](https://data.pdbj.org/pdbjplus/data/cc/svg/KOO.svg) | KOO | 表記: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide | 組成式: | C52 H54 F2 N7 O10 P S2 | SMILES: | O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)C | InChi: | InChI=1S/C52H54F2N7O10PS2/c1-51(2,3)44(57-46(65)41-29-33-28-34(16-20-40(33)74-41)52(53,54)72(69,70)71)50(68)60-25-9-13-39(60)49(67)59(35-17-14-32(15-18-35)47-55-23-27-73-47)26-22-43(63)58(4)24-7-5-6-10-31-11-8-12-36-37(31)30-61(48(36)66)38-19-21-42(62)56-45(38)64/h8,11-12,14-18,20,23,27-29,38-39,44H,5,7,9,13,19,21-22,24-26,30H2,1-4H3,(H,57,65)(H,56,62,64)(H2,69,70,71)/t38-,39+,44-/m1/s1 | 別名: | AK2292 | 定義日: | 2022-02-08 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide |
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![KP9 KP9](https://data.pdbj.org/pdbjplus/data/cc/svg/KP9.svg) | KP9 | 表記: | Bilin 618 (single linked) | 組成式: | C33 H36 N4 O6 | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1 | 別名: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE | 定義日: | 2022-02-09 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid |
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![NQF NQF](https://data.pdbj.org/pdbjplus/data/cc/svg/NQF.svg) | NQF | 表記: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | 組成式: | C23 H24 N4 O3 | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1 | 定義日: | 2022-04-07 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
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![OIH OIH](https://data.pdbj.org/pdbjplus/data/cc/svg/OIH.svg) | OIH | 表記: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid | 組成式: | C28 H32 Cl F N4 O3 | SMILES: | CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O | InChi: | InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37) | 定義日: | 2023-02-02 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid |
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![OVU OVU](https://data.pdbj.org/pdbjplus/data/cc/svg/OVU.svg) | OVU | 表記: | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid | 組成式: | C7 H10 O6 | SMILES: | O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O | InChi: | InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1 | 定義日: | 2022-09-21 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid |
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![76N 76N](https://data.pdbj.org/pdbjplus/data/cc/svg/76N.svg) | 76N | 表記: | 3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one | 組成式: | C23 H29 N O6 | SMILES: | C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)[C]4(O)CC[CH](O)[CH]5O[CH]45 | InChi: | InChI=1S/C23H29NO6/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24-22(17)28)23(29)9-8-15(25)20-21(23)30-20/h6-7,10-13,15-16,20-21,25,29H,2-5,8-9H2,1H3,(H2,24,26,28)/t11-,12+,13+,15+,16+,20+,21+,23-/m1/s1 | 定義日: | 2022-02-18 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | 3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one |
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![HFF HFF](https://data.pdbj.org/pdbjplus/data/cc/svg/HFF.svg) | HFF | 表記: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | 組成式: | C21 H24 N4 O3 S2 | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=S)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1 | InChi: | InChI=1S/C21H24N4O3S2/c22-30(27,28)17-7-5-15(6-8-17)9-11-23-21(29)24-13-19-18-4-2-1-3-16(18)10-12-25(19)20(26)14-24/h1-8,19H,9-14H2,(H,23,29)(H2,22,27,28)/t19-/m0/s1 | 別名: | (11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | 定義日: | 2022-02-07 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (11~{b}~{R})-4-oxidanylidene-~{N}-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
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![7QX 7QX](https://data.pdbj.org/pdbjplus/data/cc/svg/7QX.svg) | 7QX | 表記: | (3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion | 組成式: | C12 H22 N2 O4 | SMILES: | CC[CH](C)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O | InChi: | InChI=1S/C12H22N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8-,9-,12+/m0/s1 | 定義日: | 2021-10-14 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dione |
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![Q6O Q6O](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6O.svg) | Q6O | 表記: | N-(4-chloro-2,5-dimethoxyphenyl)acetamide | 組成式: | C10 H12 Cl N O3 | SMILES: | COc1cc(NC(C)=O)c(cc1Cl)OC | InChi: | InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13) | 定義日: | 2022-06-01 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | N-(4-chloro-2,5-dimethoxyphenyl)acetamide |
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![Q7L Q7L](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7L.svg) | Q7L | 表記: | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole | 組成式: | C10 H8 N2 O2 | SMILES: | c1cc(cc2OCOc12)c1cc[NH]n1 | InChi: | InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) | 定義日: | 2022-06-01 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole |
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![QE0 QE0](https://data.pdbj.org/pdbjplus/data/cc/svg/QE0.svg) | QE0 | 表記: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 組成式: | C25 H34 Cl N3 O6 | SMILES: | COCCOc1cc(Cl)ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3 | InChi: | InChI=1S/C25H34ClN3O6/c1-14(2)23(22-10-15(3)28-35-22)25(32)29-13-18(30)12-20(29)24(31)27-16(4)19-7-6-17(26)11-21(19)34-9-8-33-5/h6-7,10-11,14,16,18,20,23,30H,8-9,12-13H2,1-5H3,(H,27,31)/t16-,18+,20-,23+/m0/s1 | 定義日: | 2022-10-26 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![QE9 QE9](https://data.pdbj.org/pdbjplus/data/cc/svg/QE9.svg) | QE9 | 表記: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 組成式: | C28 H36 N4 O6 S | SMILES: | COCCOc1cc(ccc1CNC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C | InChi: | InChI=1S/C28H36N4O6S/c1-16(2)25(24-10-17(3)31-38-24)28(35)32-14-21(33)12-22(32)27(34)29-13-20-7-6-19(26-18(4)30-15-39-26)11-23(20)37-9-8-36-5/h6-7,10-11,15-16,21-22,25,33H,8-9,12-14H2,1-5H3,(H,29,34)/t21-,22+,25-/m1/s1 | 定義日: | 2022-10-26 | 最終更新日: | 2023-02-10 | 公開日: | 2023-02-15 | 識別子(ID): | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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