![DNO DNO](https://data.pdbj.org/pdbjplus/data/cc/svg/DNO.svg) | DNO | 表記: | D-mannose | 組成式: | C6 H12 O6 | SMILES: | O=CC(O)C(O)C(O)C(O)CO | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1 | 定義日: | 2007-11-19 | 最終更新日: | 2020-06-24 | 識別子(ID): | D-mannose |
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![AOS AOS](https://data.pdbj.org/pdbjplus/data/cc/svg/AOS.svg) | AOS | 表記: | D-ALLOSE | 組成式: | C6 H12 O6 | SMILES: | O=CC(O)C(O)C(O)C(O)CO | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1 | 定義日: | 2006-08-25 | 最終更新日: | 2020-06-24 | 識別子(ID): | D-allose |
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![G4P G4P](https://data.pdbj.org/pdbjplus/data/cc/svg/G4P.svg) | G4P | 表記: | GUANOSINE-5',3'-TETRAPHOSPHATE | 組成式: | C10 H17 N5 O17 P4 | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | 別名: | guanosine tetraphosphate | 定義日: | 2002-05-16 | 最終更新日: | 2020-06-24 | 識別子(ID): | guanosine 3',5'-bis(trihydrogen diphosphate) |
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![AR4 AR4](https://data.pdbj.org/pdbjplus/data/cc/svg/AR4.svg) | AR4 | 表記: | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid | 組成式: | C10 H16 F N O8 | SMILES: | O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N | InChi: | InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1 | 別名: | MODIFIED RIBOSYLATED GLUTAMYL ESTER | 定義日: | 2004-02-16 | 最終更新日: | 2020-06-21 | 識別子(ID): | (2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name) |
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![ND8 ND8](https://data.pdbj.org/pdbjplus/data/cc/svg/ND8.svg) | ND8 | 表記: | benzothiophene 2 carboxylic acid | 組成式: | C9 H6 O2 S | SMILES: | OC(=O)c1sc2ccccc2c1 | InChi: | InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) | 定義日: | 2019-11-22 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 1-benzothiophene-2-carboxylic acid |
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![UQD UQD](https://data.pdbj.org/pdbjplus/data/cc/svg/UQD.svg) | UQD | 表記: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide | 組成式: | C18 H16 Cl N5 O | SMILES: | n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=N)cc3Cl | InChi: | InChI=1S/C18H16ClN5O/c1-10-2-4-11(5-3-10)15-16(25)18(23-9-22-15)24-14-7-6-12(17(20)21)8-13(14)19/h2-9,25H,1H3,(H3,20,21)(H,22,23,24) | 定義日: | 2020-05-27 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide |
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![UQG UQG](https://data.pdbj.org/pdbjplus/data/cc/svg/UQG.svg) | UQG | 表記: | 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide | 組成式: | C18 H17 N5 O | SMILES: | n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(cc3)/C(N)=N | InChi: | InChI=1S/C18H17N5O/c1-11-2-4-12(5-3-11)15-16(24)18(22-10-21-15)23-14-8-6-13(7-9-14)17(19)20/h2-10,24H,1H3,(H3,19,20)(H,21,22,23) | 定義日: | 2020-05-27 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide |
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![WK1 WK1](https://data.pdbj.org/pdbjplus/data/cc/svg/WK1.svg) | WK1 | 表記: | (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid | 組成式: | C25 H35 N O6 | SMILES: | CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O | InChi: | InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1 | 定義日: | 2019-07-03 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid |
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![QSJ QSJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QSJ.svg) | QSJ | 表記: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one | 組成式: | C20 H20 Cl N O4 | SMILES: | c2(N1CC(C(C1=O)O)O)cc(c(c(c2)[C@H]=[C@H]c3ccc(cc3)Cl)OC)C | InChi: | InChI=1S/C20H20ClNO4/c1-12-9-16(22-11-17(23)18(24)20(22)25)10-14(19(12)26-2)6-3-13-4-7-15(21)8-5-13/h3-10,17-18,23-24H,11H2,1-2H3/b6-3+/t17-,18-/m1/s1 | 定義日: | 2019-12-16 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one |
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![KAS KAS](https://data.pdbj.org/pdbjplus/data/cc/svg/KAS.svg) | KAS | 表記: | 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid | 組成式: | C10 H11 B N3 O7 P | SMILES: | OC(c1cccc(c1)c2cn(CB(OP(=O)(O)O)O)nn2)=O | InChi: | InChI=1S/C10H11BN3O7P/c15-10(16)8-3-1-2-7(4-8)9-5-14(13-12-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H,15,16)(H2,18,19,20) | 定義日: | 2019-08-16 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid |
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![QXD QXD](https://data.pdbj.org/pdbjplus/data/cc/svg/QXD.svg) | QXD | 表記: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine | 組成式: | C29 H43 N8 O13 P S2 | SMILES: | C(C(=O)NCCC(NCCSC(CS(NCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)O)(=O)=O)c4cccc(c4)O)=O)(C(C)(C)COP(O)(O)=O)O | InChi: | InChI=1S/C29H43N8O13PS2/c1-29(2,13-49-51(44,45)46)24(42)27(43)32-7-6-20(39)31-8-9-52-19(16-4-3-5-17(38)10-16)12-53(47,48)36-11-18-22(40)23(41)28(50-18)37-15-35-21-25(30)33-14-34-26(21)37/h3-5,10,14-15,18-19,22-24,28,36,38,40-42H,6-9,11-13H2,1-2H3,(H,31,39)(H,32,43)(H2,30,33,34)(H2,44,45,46)/t18-,19+,22-,23-,24+,28-/m1/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine |
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![QXG QXG](https://data.pdbj.org/pdbjplus/data/cc/svg/QXG.svg) | QXG | 表記: | 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine | 組成式: | C17 H20 N8 O7 S | SMILES: | n3(C1OC(C(O)C1O)CNS(NC(c2cccc(c2N)O)=O)(=O)=O)cnc4c(N)ncnc34 | InChi: | InChI=1S/C17H20N8O7S/c18-10-7(2-1-3-8(10)26)16(29)24-33(30,31)23-4-9-12(27)13(28)17(32-9)25-6-22-11-14(19)20-5-21-15(11)25/h1-3,5-6,9,12-13,17,23,26-28H,4,18H2,(H,24,29)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine |
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![QXP QXP](https://data.pdbj.org/pdbjplus/data/cc/svg/QXP.svg) | QXP | 表記: | 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine | 組成式: | C17 H20 N8 O6 S | SMILES: | C4(C(CNS(NC(c1c(cccc1)N)=O)(=O)=O)OC(n3cnc2c(ncnc23)N)C4O)O | InChi: | InChI=1S/C17H20N8O6S/c18-9-4-2-1-3-8(9)16(28)24-32(29,30)23-5-10-12(26)13(27)17(31-10)25-7-22-11-14(19)20-6-21-15(11)25/h1-4,6-7,10,12-13,17,23,26-27H,5,18H2,(H,24,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 5'-{[(2-aminobenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine |
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![U6V U6V](https://data.pdbj.org/pdbjplus/data/cc/svg/U6V.svg) | U6V | 表記: | N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | 組成式: | C28 H35 F N4 O3 S | SMILES: | C(c1ccc(F)cc1)N(CCc2ccc(cc2)S(N)(=O)=O)C(CN(CCc3ccccc3)CCCN)=O | InChi: | InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36) | 定義日: | 2020-04-29 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide |
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![U77 U77](https://data.pdbj.org/pdbjplus/data/cc/svg/U77.svg) | U77 | 表記: | N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine | 組成式: | C26 H31 N3 O6 S | SMILES: | c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC(O)=O)=O)Cc3occc3)S(N)(=O)=O | InChi: | InChI=1S/C26H31N3O6S/c27-36(33,34)24-10-8-22(9-11-24)13-17-29(19-23-7-4-18-35-23)25(30)20-28(16-14-26(31)32)15-12-21-5-2-1-3-6-21/h1-11,18H,12-17,19-20H2,(H,31,32)(H2,27,33,34) | 定義日: | 2020-04-29 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine |
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![U7A U7A](https://data.pdbj.org/pdbjplus/data/cc/svg/U7A.svg) | U7A | 表記: | N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | 組成式: | C29 H34 N4 O3 S | SMILES: | c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC#N)=O)CCc3ccccc3)S(N)(=O)=O | InChi: | InChI=1S/C29H34N4O3S/c30-19-7-20-32(21-16-25-8-3-1-4-9-25)24-29(34)33(22-17-26-10-5-2-6-11-26)23-18-27-12-14-28(15-13-27)37(31,35)36/h1-6,8-15H,7,16-18,20-24H2,(H2,31,35,36) | 定義日: | 2020-04-29 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide |
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![UM7 UM7](https://data.pdbj.org/pdbjplus/data/cc/svg/UM7.svg) | UM7 | 表記: | methyl (3S)-hexahydropyridazine-3-carboxylate | 組成式: | C6 H12 N2 O2 | SMILES: | C1NNC(CC1)C(=O)OC | InChi: | InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-7-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1 | 定義日: | 2020-05-22 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | methyl (3S)-hexahydropyridazine-3-carboxylate |
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![U7G U7G](https://data.pdbj.org/pdbjplus/data/cc/svg/U7G.svg) | U7G | 表記: | N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | 組成式: | C26 H34 N4 O4 S | SMILES: | c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCCN)=O)Cc3occc3)S(N)(=O)=O | InChi: | InChI=1S/C26H34N4O4S/c27-15-5-16-29(17-13-22-6-2-1-3-7-22)21-26(31)30(20-24-8-4-19-34-24)18-14-23-9-11-25(12-10-23)35(28,32)33/h1-4,6-12,19H,5,13-18,20-21,27H2,(H2,28,32,33) | 定義日: | 2020-04-29 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide |
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![U7J U7J](https://data.pdbj.org/pdbjplus/data/cc/svg/U7J.svg) | U7J | 表記: | N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine | 組成式: | C32 H35 N3 O5 S | SMILES: | C(=O)(N(Cc2ccc1ccccc1c2)CCc3ccc(cc3)S(N)(=O)=O)CN(CCc4ccccc4)CCC(O)=O | InChi: | InChI=1S/C32H35N3O5S/c33-41(39,40)30-14-11-26(12-15-30)17-21-35(23-27-10-13-28-8-4-5-9-29(28)22-27)31(36)24-34(20-18-32(37)38)19-16-25-6-2-1-3-7-25/h1-15,22H,16-21,23-24H2,(H,37,38)(H2,33,39,40) | 定義日: | 2020-04-29 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine |
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![UMM UMM](https://data.pdbj.org/pdbjplus/data/cc/svg/UMM.svg) | UMM | 表記: | tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | 組成式: | C28 H42 N4 O7 | SMILES: | CC(C)(OC(NC(C(=O)NC3Cc1cccc(c1)OCCCCOC(=O)C2CCCN(N2)C3=O)C(C)C)=O)C | InChi: | InChI=1S/C28H42N4O7/c1-18(2)23(30-27(36)39-28(3,4)5)24(33)29-22-17-19-10-8-11-20(16-19)37-14-6-7-15-38-26(35)21-12-9-13-32(31-21)25(22)34/h8,10-11,16,18,21-23,31H,6-7,9,12-15,17H2,1-5H3,(H,29,33)(H,30,36)/t21-,22-,23-/m0/s1 | 定義日: | 2020-05-22 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate |
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![KFS KFS](https://data.pdbj.org/pdbjplus/data/cc/svg/KFS.svg) | KFS | 表記: | [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid | 組成式: | C16 H13 N O3 | SMILES: | c2c(Oc1cc(c(cc1)C#N)C)ccc(CC(O)=O)c2 | InChi: | InChI=1S/C16H13NO3/c1-11-8-15(7-4-13(11)10-17)20-14-5-2-12(3-6-14)9-16(18)19/h2-8H,9H2,1H3,(H,18,19) | 定義日: | 2018-12-03 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid |
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![UO7 UO7](https://data.pdbj.org/pdbjplus/data/cc/svg/UO7.svg) | UO7 | 表記: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone | 組成式: | C28 H35 N5 O5 | SMILES: | C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(=O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C | InChi: | InChI=1S/C28H35N5O5/c1-16(2)25-26(35)30-17(3)27(36)33-12-6-8-23(32-33)28(37)38-18(4)19-10-11-20-15-29-22(14-21(20)13-19)7-5-9-24(34)31-25/h5,7,10-11,13-18,23,25,32H,6,8-9,12H2,1-4H3,(H,30,35)(H,31,34)/b7-5+/t17-,18+,23-,25-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![UOD UOD](https://data.pdbj.org/pdbjplus/data/cc/svg/UOD.svg) | UOD | 表記: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone | 組成式: | C30 H39 N5 O5 | SMILES: | c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4 | InChi: | InChI=1S/C30H39N5O5/c1-17(2)25-26(36)31-18(3)27(37)35-15-7-8-23(34-35)28(38)40-19(4)22-12-11-21-10-9-20(16-24(21)32-22)13-14-30(5,6)29(39)33-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,33,39)/b14-13+/t18-,19+,23-,25-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
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![S7E S7E](https://data.pdbj.org/pdbjplus/data/cc/svg/S7E.svg) | S7E | 表記: | 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide | 組成式: | C26 H32 N12 O5 | SMILES: | Cn1cc(N)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(n3)C(=O)Nc4cn(C)c(n4)C(=O)NCC[CH](N)C=O | InChi: | InChI=1S/C26H32N12O5/c1-35-9-15(28)7-17(35)23(40)30-16-8-18(36(2)10-16)24(41)33-19-11-38(4)22(32-19)26(43)34-20-12-37(3)21(31-20)25(42)29-6-5-14(27)13-39/h7-14H,5-6,27-28H2,1-4H3,(H,29,42)(H,30,40)(H,33,41)(H,34,43)/t14-/m0/s1 | 定義日: | 2020-03-18 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide |
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![UOG UOG](https://data.pdbj.org/pdbjplus/data/cc/svg/UOG.svg) | UOG | 表記: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone | 組成式: | C30 H39 N5 O5 | SMILES: | C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O | InChi: | InChI=1S/C30H39N5O5/c1-17(2)25-27(37)32-19(4)28(38)35-15-7-8-23(34-35)26(36)31-18(3)22-12-11-21-10-9-20(16-24(21)33-22)13-14-30(5,6)29(39)40-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,32,37)/b14-13+/t18-,19+,23+,25+/m1/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-06-19 | 公開日: | 2020-06-24 | 識別子(ID): | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
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