![Q6M Q6M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6M.svg) | Q6M | 表記: | 7-[(3-aminopropyl)amino]heptane-2,2-diol | 組成式: | C10 H24 N2 O2 | SMILES: | C(NCCCCCC(C)(O)O)CCN | InChi: | InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3 | 定義日: | 2019-09-25 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 7-[(3-aminopropyl)amino]heptane-2,2-diol |
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![Q6P Q6P](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6P.svg) | Q6P | 表記: | 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol | 組成式: | C11 H26 N2 O3 | SMILES: | C(CNCCCN)CCCC(COC)(O)O | InChi: | InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3 | 定義日: | 2019-09-25 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol |
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![Q7V Q7V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7V.svg) | Q7V | 表記: | 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | 組成式: | C8 H22 B N2 O3 | SMILES: | C([B+](O)(O)O)CCCCNCCCN | InChi: | InChI=1S/C8H22BN2O3/c10-6-4-8-11-7-3-1-2-5-9(12,13)14/h11-14H,1-8,10H2/q+1 | 定義日: | 2019-10-02 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | {5-[(3-aminopropyl)amino]pentyl}(trihydroxy)boranium |
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![Q7Y Q7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7Y.svg) | Q7Y | 表記: | 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one | 組成式: | C10 H22 N2 O S | SMILES: | C(C(CS)=O)CCCCNCCCN | InChi: | InChI=1S/C10H22N2OS/c11-6-4-8-12-7-3-1-2-5-10(13)9-14/h12,14H,1-9,11H2 | 定義日: | 2019-10-02 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one |
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![CKO CKO](https://data.pdbj.org/pdbjplus/data/cc/svg/CKO.svg) | CKO | 表記: | E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide | 組成式: | C32 H31 N5 O3 | SMILES: | CN(C)CC=CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5 | InChi: | InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1 | 定義日: | 2019-05-08 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (~{E})-4-(dimethylamino)-~{N}-[3-[4-[[(1~{S})-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide |
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![DQ0 DQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/DQ0.svg) | DQ0 | 表記: | 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid | 組成式: | C21 H21 Cl N4 O4 | SMILES: | Nc1nc(N)c(c(COc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3 | InChi: | InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)12-30-16-7-2-6-15(11-16)29-9-3-8-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26) | 定義日: | 2019-08-21 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid |
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![DQ3 DQ3](https://data.pdbj.org/pdbjplus/data/cc/svg/DQ3.svg) | DQ3 | 表記: | 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine | 組成式: | C19 H19 Cl N4 O | SMILES: | Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3 | InChi: | InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24) | 定義日: | 2019-08-21 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine |
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![DQ9 DQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/DQ9.svg) | DQ9 | 表記: | 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid | 組成式: | C21 H21 Cl N4 O4 | SMILES: | Nc1nc(N)c(c(CCCOc2cccc(OCC(O)=O)c2)n1)c3cccc(Cl)c3 | InChi: | InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)8-3-9-29-15-6-2-7-16(11-15)30-12-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26) | 定義日: | 2019-08-21 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid |
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![DQF DQF](https://data.pdbj.org/pdbjplus/data/cc/svg/DQF.svg) | DQF | 表記: | 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid | 組成式: | C23 H25 Cl N4 O4 | SMILES: | Nc1nc(N)c(c(CCCOc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3 | InChi: | InChI=1S/C23H25ClN4O4/c24-16-6-1-5-15(13-16)21-19(27-23(26)28-22(21)25)9-3-11-31-17-7-2-8-18(14-17)32-12-4-10-20(29)30/h1-2,5-8,13-14H,3-4,9-12H2,(H,29,30)(H4,25,26,27,28) | 定義日: | 2019-08-21 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid |
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![E33 E33](https://data.pdbj.org/pdbjplus/data/cc/svg/E33.svg) | E33 | 表記: | (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine | 組成式: | C19 H28 N2 O3 S | SMILES: | CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12 | InChi: | InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19-/m1/s1 | 定義日: | 2019-10-03 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine |
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![E39 E39](https://data.pdbj.org/pdbjplus/data/cc/svg/E39.svg) | E39 | 表記: | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole | 組成式: | C14 H16 F N3 | SMILES: | CC(C)N1[CH](Cc2c(F)cccc12)c3[nH]cnc3 | InChi: | InChI=1S/C14H16FN3/c1-9(2)18-13-5-3-4-11(15)10(13)6-14(18)12-7-16-8-17-12/h3-5,7-9,14H,6H2,1-2H3,(H,16,17)/t14-/m0/s1 | 定義日: | 2019-10-03 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole |
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![E3F E3F](https://data.pdbj.org/pdbjplus/data/cc/svg/E3F.svg) | E3F | 表記: | (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine | 組成式: | C19 H28 N2 O3 S | SMILES: | CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12 | InChi: | InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19+/m1/s1 | 定義日: | 2019-10-03 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine |
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![FZK FZK](https://data.pdbj.org/pdbjplus/data/cc/svg/FZK.svg) | FZK | 表記: | 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | 組成式: | C12 H18 N4 O10 S | SMILES: | N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C12H18N4O10S/c13-5(3-17)10(21)15-27(23,24)25-4-6-8(19)9(20)11(26-6)16-2-1-7(18)14-12(16)22/h1-2,5-6,8-9,11,17,19-20H,3-4,13H2,(H,15,21)(H,14,18,22)/t5-,6+,8+,9+,11+/m0/s1 | 定義日: | 2018-08-20 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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![FZQ FZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/FZQ.svg) | FZQ | 表記: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | 組成式: | C12 H19 N5 O9 S | SMILES: | N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N | InChi: | InChI=1S/C12H19N5O9S/c13-5(3-18)10(21)16-27(23,24)25-4-6-8(19)9(20)11(26-6)17-2-1-7(14)15-12(17)22/h1-2,5-6,8-9,11,18-20H,3-4,13H2,(H,16,21)(H2,14,15,22)/t5-,6+,8+,9+,11+/m0/s1 | 定義日: | 2018-08-20 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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![FZT FZT](https://data.pdbj.org/pdbjplus/data/cc/svg/FZT.svg) | FZT | 表記: | 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | 組成式: | C13 H20 N4 O10 S | SMILES: | CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CO)[CH](O)[CH]2O)C1=O | InChi: | InChI=1S/C13H20N4O10S/c1-16-8(19)2-3-17(13(16)23)12-10(21)9(20)7(27-12)5-26-28(24,25)15-11(22)6(14)4-18/h2-3,6-7,9-10,12,18,20-21H,4-5,14H2,1H3,(H,15,22)/t6-,7+,9+,10+,12+/m0/s1 | 定義日: | 2018-08-20 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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![GRH GRH](https://data.pdbj.org/pdbjplus/data/cc/svg/GRH.svg) | GRH | 表記: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide | 組成式: | C21 H19 Cl N2 O4 S | SMILES: | C[CH](C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3 | InChi: | InChI=1S/C21H19ClN2O4S/c1-14(15-6-3-2-4-7-15)21(25)24-17-10-11-19(20(13-17)29(23,26)27)28-18-9-5-8-16(22)12-18/h2-14H,1H3,(H,24,25)(H2,23,26,27)/t14-/m1/s1 | 定義日: | 2018-10-05 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide |
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![JBG JBG](https://data.pdbj.org/pdbjplus/data/cc/svg/JBG.svg) | JBG | 表記: | N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine | 組成式: | C23 H27 Cl2 N3 O5 | SMILES: | C1CN(CCN1C)CCOc3c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)Cl | InChi: | InChI=1S/C23H27Cl2N3O5/c1-27-7-9-28(10-8-27)11-12-33-21-17(24)14-16(20(29)19(21)25)22(30)26-18(23(31)32)13-15-5-3-2-4-6-15/h2-6,14,18,29H,7-13H2,1H3,(H,26,30)(H,31,32)/t18-/m0/s1 | 定義日: | 2018-08-28 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine |
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![K6M K6M](https://data.pdbj.org/pdbjplus/data/cc/svg/K6M.svg) | K6M | 表記: | N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide | 組成式: | C15 H21 F3 N2 O | SMILES: | N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O | InChi: | InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21) | 定義日: | 2018-11-01 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide |
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![K6P K6P](https://data.pdbj.org/pdbjplus/data/cc/svg/K6P.svg) | K6P | 表記: | N-[3-(tert-butylamino)propyl]-3-iodobenzamide | 組成式: | C14 H21 I N2 O | SMILES: | N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C | InChi: | InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18) | 定義日: | 2018-11-01 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | N-[3-(tert-butylamino)propyl]-3-iodobenzamide |
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![K6S K6S](https://data.pdbj.org/pdbjplus/data/cc/svg/K6S.svg) | K6S | 表記: | N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide | 組成式: | C17 H28 N2 O | SMILES: | N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O | InChi: | InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20) | 定義日: | 2018-11-01 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide |
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![Y17 Y17](https://data.pdbj.org/pdbjplus/data/cc/svg/Y17.svg) | Y17 | 表記: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | 組成式: | C18 H21 N3 O2 | SMILES: | CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O | InChi: | InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1 | 定義日: | 2019-07-12 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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![Y18 Y18](https://data.pdbj.org/pdbjplus/data/cc/svg/Y18.svg) | Y18 | 表記: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | 組成式: | C17 H19 N3 O2 | SMILES: | C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4 | InChi: | InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1 | 定義日: | 2019-07-12 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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![JUZ JUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/JUZ.svg) | JUZ | 表記: | 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea | 組成式: | C26 H32 N4 O4 S | SMILES: | CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3 | InChi: | InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1 | 定義日: | 2019-04-02 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea |
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![JV2 JV2](https://data.pdbj.org/pdbjplus/data/cc/svg/JV2.svg) | JV2 | 表記: | 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea | 組成式: | C26 H32 N4 O4 S | SMILES: | CSc1ccccc1[CH]2CCCN2C(=O)CNC(=O)NCc3ccc4N[CH]5C[CH](OC[CH]5O)c4c3 | InChi: | InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1 | 定義日: | 2019-04-02 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea |
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![JVH JVH](https://data.pdbj.org/pdbjplus/data/cc/svg/JVH.svg) | JVH | 表記: | 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide | 組成式: | C23 H27 N3 O5 | SMILES: | O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)CN4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O)cc23 | InChi: | InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1 | 定義日: | 2019-04-02 | 最終更新日: | 2019-11-22 | 公開日: | 2019-11-27 | 識別子(ID): | 2-[(1~{R},2~{S},6~{R},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]-~{N}-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]ethanamide |
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