![Y2J Y2J](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2J.svg) | Y2J | 表記: | 4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide | 組成式: | C13 H18 Cl N3 O4 | SMILES: | N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O | InChi: | InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19) | 定義日: | 2021-01-28 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | 4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide |
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![Y2M Y2M](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2M.svg) | Y2M | 表記: | N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide | 組成式: | C15 H21 N3 O3 | SMILES: | N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3 | InChi: | InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20) | 定義日: | 2021-01-28 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
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![Y2V Y2V](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2V.svg) | Y2V | 表記: | 4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide | 組成式: | C13 H16 F3 N3 O3 | SMILES: | N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2 | InChi: | InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21) | 定義日: | 2021-02-01 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | 4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide |
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![Y31 Y31](https://data.pdbj.org/pdbjplus/data/cc/svg/Y31.svg) | Y31 | 表記: | 5-bromopyridine-3-carboxylic acid | 組成式: | C6 H4 Br N O2 | SMILES: | c1(Br)cc(cnc1)C(O)=O | InChi: | InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) | 定義日: | 2021-02-01 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | 5-bromopyridine-3-carboxylic acid |
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![Y34 Y34](https://data.pdbj.org/pdbjplus/data/cc/svg/Y34.svg) | Y34 | 表記: | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid | 組成式: | C7 H6 O4 S | SMILES: | C2COc1c(csc1C(=O)O)O2 | InChi: | InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9) | 定義日: | 2021-02-01 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid |
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![Y3P Y3P](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3P.svg) | Y3P | 表記: | (~{Z})-2-oxidanylbut-2-enedioic acid | 組成式: | C4 H4 O5 | SMILES: | OC(=O)C=C(O)C(O)=O | InChi: | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1- | 定義日: | 2021-02-01 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (~{Z})-2-oxidanylbut-2-enedioic acid |
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![VRJ VRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VRJ.svg) | VRJ | 表記: | N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide | 組成式: | C26 H27 F N2 O5 S | SMILES: | O=S(=O)(C(C)(C)C)NC(=O)c4c(c3ccc1c(OCC(C1O)Cc2ccccn2)c3)cc(cc4)F | InChi: | InChI=1S/C26H27FN2O5S/c1-26(2,3)35(32,33)29-25(31)20-10-8-18(27)14-22(20)16-7-9-21-23(13-16)34-15-17(24(21)30)12-19-6-4-5-11-28-19/h4-11,13-14,17,24,30H,12,15H2,1-3H3,(H,29,31)/t17-,24+/m0/s1 | 定義日: | 2020-09-09 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide |
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![Y3V Y3V](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3V.svg) | Y3V | 表記: | (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide | 組成式: | C16 H24 N4 O2 | SMILES: | N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3 | InChi: | InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide |
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![Y44 Y44](https://data.pdbj.org/pdbjplus/data/cc/svg/Y44.svg) | Y44 | 表記: | N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | 組成式: | C16 H18 N4 O2 S | SMILES: | N(Cc1cccnc1)C(N3CCN(C(=O)c2cccs2)CC3)=O | InChi: | InChI=1S/C16H18N4O2S/c21-15(14-4-2-10-23-14)19-6-8-20(9-7-19)16(22)18-12-13-3-1-5-17-11-13/h1-5,10-11H,6-9,12H2,(H,18,22) | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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![Y47 Y47](https://data.pdbj.org/pdbjplus/data/cc/svg/Y47.svg) | Y47 | 表記: | 4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide | 組成式: | C17 H20 N4 O3 | SMILES: | N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3)=O | InChi: | InChI=1S/C17H20N4O3/c1-13-4-5-15(24-13)16(22)20-7-9-21(10-8-20)17(23)19-12-14-3-2-6-18-11-14/h2-6,11H,7-10,12H2,1H3,(H,19,23) | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | 4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide |
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![Y4D Y4D](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4D.svg) | Y4D | 表記: | (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H41 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (1~{R},2~{S})-2-[[(2~{S})-2-[[(1~{S},5~{R})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y4J Y4J](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4J.svg) | Y4J | 表記: | (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H39 N3 O8 S | SMILES: | N(C(=O)C(CC(C)C)NC(OCC1CC2CC(C1)CC=C2)=O)C(CC3C(NCC3)=O)C(O)S(=O)(O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (1R,2S)-2-{[N-({[(1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y4P Y4P](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4P.svg) | Y4P | 表記: | (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C22 H37 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC[CH]1C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H37N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h12-18,21,28H,3-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y4V Y4V](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4V.svg) | Y4V | 表記: | (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C25 H41 N3 O8 S | SMILES: | C(NC(C(NC(CC1C(=O)NCC1)CO)=O)CC(C)C)(=O)OCC24CC3CC(CC(C2)C3)C4 | InChi: | InChI=1S/C25H41N3O8S/c1-14(2)5-19(22(30)27-20(23(31)37(33,34)35)9-18-3-4-26-21(18)29)28-24(32)36-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h14-20,23,31H,3-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,16+,17-,18-,19-,20-,23+,25-/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methoxy}carbonyl)-L-leucinamide |
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![Y51 Y51](https://data.pdbj.org/pdbjplus/data/cc/svg/Y51.svg) | Y51 | 表記: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C22 H35 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1 | 定義日: | 2021-02-03 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y5S Y5S](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5S.svg) | Y5S | 表記: | (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H41 N3 O8 S | SMILES: | CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1 | 定義日: | 2021-02-04 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y64 Y64](https://data.pdbj.org/pdbjplus/data/cc/svg/Y64.svg) | Y64 | 表記: | (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H39 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1 | 定義日: | 2021-02-08 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{R},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y71 Y71](https://data.pdbj.org/pdbjplus/data/cc/svg/Y71.svg) | Y71 | 表記: | (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C22 H35 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21-/m0/s1 | 定義日: | 2021-02-08 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y7G Y7G](https://data.pdbj.org/pdbjplus/data/cc/svg/Y7G.svg) | Y7G | 表記: | (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C22 H37 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC[CH]1C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H37N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h12-18,21,28H,3-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21-/m0/s1 | 定義日: | 2021-02-09 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y7M Y7M](https://data.pdbj.org/pdbjplus/data/cc/svg/Y7M.svg) | Y7M | 表記: | (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C25 H41 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C25H41N3O8S/c1-14(2)5-19(22(30)27-20(23(31)37(33,34)35)9-18-3-4-26-21(18)29)28-24(32)36-13-25-10-15-6-16(11-25)8-17(7-15)12-25/h14-20,23,31H,3-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,16+,17-,18-,19-,20-,23-,25-/m0/s1 | 定義日: | 2021-02-09 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-(1-adamantylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y8S Y8S](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8S.svg) | Y8S | 表記: | (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H39 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1 | 定義日: | 2021-02-10 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y8V Y8V](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8V.svg) | Y8V | 表記: | (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H39 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1 | 定義日: | 2021-02-10 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y8Y Y8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8Y.svg) | Y8Y | 表記: | (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H41 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1 | 定義日: | 2021-02-10 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![Y91 Y91](https://data.pdbj.org/pdbjplus/data/cc/svg/Y91.svg) | Y91 | 表記: | (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | 組成式: | C24 H41 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1 | 定義日: | 2021-02-10 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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![XB1 XB1](https://data.pdbj.org/pdbjplus/data/cc/svg/XB1.svg) | XB1 | 表記: | N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea | 組成式: | C17 H27 N7 O3 S2 | SMILES: | C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S | InChi: | InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28) | 定義日: | 2020-12-08 | 最終更新日: | 2021-02-12 | 公開日: | 2021-02-17 | 識別子(ID): | N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea |
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