![Q08 Q08](https://data.pdbj.org/pdbjplus/data/cc/svg/Q08.svg) | Q08 | 表記: | [(1R)-1-amino-2-propylpentyl]phosphonic acid | 組成式: | C8 H20 N O3 P | SMILES: | O=P(O)(O)C(N)C(CCC)CCC | InChi: | InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)/t8-/m1/s1 | 定義日: | 2014-07-29 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | [(1R)-1-amino-2-propylpentyl]phosphonic acid |
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![33G 33G](https://data.pdbj.org/pdbjplus/data/cc/svg/33G.svg) | 33G | 表記: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 組成式: | C25 H20 F N5 O | SMILES: | Fc1cccc(c1)c2cc(C#N)cc(c2)C4(C(C#N)=C(Oc3nnc(c34)C)N)C5CCC5 | InChi: | InChI=1S/C25H20FN5O/c1-14-22-24(31-30-14)32-23(29)21(13-28)25(22,18-5-3-6-18)19-9-15(12-27)8-17(10-19)16-4-2-7-20(26)11-16/h2,4,7-11,18H,3,5-6,29H2,1H3,(H,30,31)/t25-/m0/s1 | 定義日: | 2014-06-09 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
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![LDU LDU](https://data.pdbj.org/pdbjplus/data/cc/svg/LDU.svg) | LDU | 表記: | DIDEOXY-IMINO-LYXITOL | 組成式: | C5 H11 N O3 | SMILES: | OC[CH]1NC[CH](O)[CH]1O | InChi: | InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/m1/s1 | 定義日: | 2015-03-17 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (2R,3S,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol |
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![M40 M40](https://data.pdbj.org/pdbjplus/data/cc/svg/M40.svg) | M40 | 表記: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C24 H35 N3 O8 S | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC3CCCCC3 | InChi: | InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19?,20?,23?/m0/s1 | 定義日: | 2014-12-18 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![MRZ MRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/MRZ.svg) | MRZ | 表記: | piperidine-1-carboximidamide | 組成式: | C6 H13 N3 | SMILES: | [N@H]=C(N)N1CCCCC1 | InChi: | InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8) | 定義日: | 2014-12-08 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | piperidine-1-carboximidamide |
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![3WD 3WD](https://data.pdbj.org/pdbjplus/data/cc/svg/3WD.svg) | 3WD | 表記: | 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide | 組成式: | C39 H62 N6 O6 S | SMILES: | O=C(NC(c1nccs1)Cc2ccccc2)C(C)C(OC)C3N(C(=O)CC(OC)C(N(C(=O)C(NC(=O)C(N)(C)C)C(C)C)C)C(C)CC)CCC3 | InChi: | InChI=1S/C39H62N6O6S/c1-11-25(4)33(44(8)37(48)32(24(2)3)43-38(49)39(6,7)40)30(50-9)23-31(46)45-20-15-18-29(45)34(51-10)26(5)35(47)42-28(36-41-19-21-52-36)22-27-16-13-12-14-17-27/h12-14,16-17,19,21,24-26,28-30,32-34H,11,15,18,20,22-23,40H2,1-10H3,(H,42,47)(H,43,49)/t25-,26+,28-,29-,30+,32-,33-,34+/m0/s1 | 定義日: | 2014-12-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
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![3WV 3WV](https://data.pdbj.org/pdbjplus/data/cc/svg/3WV.svg) | 3WV | 表記: | N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide | 組成式: | C38 H63 N5 O8 | SMILES: | O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(NC)(C)C)C(C)C)C)C(C)CC | InChi: | InChI=1S/C38H63N5O8/c1-12-24(4)32(42(9)35(46)31(23(2)3)41-37(49)38(6,7)39-8)29(50-10)22-30(44)43-20-16-19-28(43)33(51-11)25(5)34(45)40-27(36(47)48)21-26-17-14-13-15-18-26/h13-15,17-18,23-25,27-29,31-33,39H,12,16,19-22H2,1-11H3,(H,40,45)(H,41,49)(H,47,48)/t24-,25+,27-,28-,29+,31-,32-,33+/m0/s1 | 定義日: | 2014-12-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
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![3WW 3WW](https://data.pdbj.org/pdbjplus/data/cc/svg/3WW.svg) | 3WW | 表記: | (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine | 組成式: | C11 H12 N2 S | SMILES: | n1ccsc1C(N)Cc2ccccc2 | InChi: | InChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1 | 定義日: | 2014-12-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine |
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![3WY 3WY](https://data.pdbj.org/pdbjplus/data/cc/svg/3WY.svg) | 3WY | 表記: | 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide | 組成式: | C39 H63 N5 O8 | SMILES: | O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C3(NCCC3)C)C(C)C)C)C(C)CC | InChi: | InChI=1S/C39H63N5O8/c1-10-25(4)33(43(7)36(47)32(24(2)3)42-38(50)39(6)19-15-20-40-39)30(51-8)23-31(45)44-21-14-18-29(44)34(52-9)26(5)35(46)41-28(37(48)49)22-27-16-12-11-13-17-27/h11-13,16-17,24-26,28-30,32-34,40H,10,14-15,18-23H2,1-9H3,(H,41,46)(H,42,50)(H,48,49)/t25-,26+,28-,29-,30+,32-,33-,34+,39-/m0/s1 | 定義日: | 2014-12-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
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![3WZ 3WZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3WZ.svg) | 3WZ | 表記: | 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide | 組成式: | C37 H61 N5 O8 | SMILES: | O=C(N2C(C(OC)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N)(C)C)C(C)C)C)C(C)CC | InChi: | InChI=1S/C37H61N5O8/c1-11-23(4)31(41(8)34(45)30(22(2)3)40-36(48)37(6,7)38)28(49-9)21-29(43)42-19-15-18-27(42)32(50-10)24(5)33(44)39-26(35(46)47)20-25-16-13-12-14-17-25/h12-14,16-17,22-24,26-28,30-32H,11,15,18-21,38H2,1-10H3,(H,39,44)(H,40,48)(H,46,47)/t23-,24+,26-,27-,28+,30-,31-,32+/m0/s1 | 定義日: | 2014-12-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
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![3EM 3EM](https://data.pdbj.org/pdbjplus/data/cc/svg/3EM.svg) | 3EM | 表記: | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide | 組成式: | C43 H51 N5 O8 S | SMILES: | O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)OCC=3c4ccc(N(CC)CC)cc4OC(=O)C=3)C(C)C)Cc5ccccc5 | InChi: | InChI=1S/C43H51N5O8S/c1-5-48(6-2)33-17-18-35-31(21-39(50)56-38(35)23-33)25-54-43(53)47-40(28(3)4)41(51)45-32(19-29-13-9-7-10-14-29)22-37(49)36(20-30-15-11-8-12-16-30)46-42(52)55-26-34-24-44-27-57-34/h7-18,21,23-24,27-28,32,36-37,40,49H,5-6,19-20,22,25-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)/t32-,36-,37-,40-/m0/s1 | 定義日: | 2014-08-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide |
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![3EN 3EN](https://data.pdbj.org/pdbjplus/data/cc/svg/3EN.svg) | 3EN | 表記: | N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide | 組成式: | C28 H36 N4 O4 S | SMILES: | O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(N)C(C)C)Cc3ccccc3 | InChi: | InChI=1S/C28H36N4O4S/c1-19(2)26(29)27(34)31-22(13-20-9-5-3-6-10-20)15-25(33)24(14-21-11-7-4-8-12-21)32-28(35)36-17-23-16-30-18-37-23/h3-12,16,18-19,22,24-26,33H,13-15,17,29H2,1-2H3,(H,31,34)(H,32,35)/t22-,24-,25-,26-/m0/s1 | 定義日: | 2014-08-01 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide |
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![3Z7 3Z7](https://data.pdbj.org/pdbjplus/data/cc/svg/3Z7.svg) | 3Z7 | 表記: | 4-bromo-2-methoxyphenol | 組成式: | C7 H7 Br O2 | SMILES: | Brc1cc(OC)c(O)cc1 | InChi: | InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3 | 定義日: | 2014-12-11 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 4-bromo-2-methoxyphenol |
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![3Z8 3Z8](https://data.pdbj.org/pdbjplus/data/cc/svg/3Z8.svg) | 3Z8 | 表記: | 7-chloro-3,4-dihydroisoquinolin-1(2H)-one | 組成式: | C9 H8 Cl N O | SMILES: | Clc2ccc1c(C(=O)NCC1)c2 | InChi: | InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12) | 定義日: | 2014-12-11 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 7-chloro-3,4-dihydroisoquinolin-1(2H)-one |
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![3Z9 3Z9](https://data.pdbj.org/pdbjplus/data/cc/svg/3Z9.svg) | 3Z9 | 表記: | methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate | 組成式: | C34 H40 N4 O8 S | SMILES: | O=C(N2C(c1c(ccc(NC(=O)OC)c1)S(=O)(=O)C(C)C)CCC2)C(c3ccc(OC)c(OC)c3)Nc5cc4C(=O)NCCc4cc5 | InChi: | InChI=1S/C34H40N4O8S/c1-20(2)47(42,43)30-13-11-24(37-34(41)46-5)19-26(30)27-7-6-16-38(27)33(40)31(22-9-12-28(44-3)29(17-22)45-4)36-23-10-8-21-14-15-35-32(39)25(21)18-23/h8-13,17-20,27,31,36H,6-7,14-16H2,1-5H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1 | 定義日: | 2014-12-11 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate |
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![3ZB 3ZB](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZB.svg) | 3ZB | 表記: | 5-chloro-1H-indole-2-carboxylic acid | 組成式: | C9 H6 Cl N O2 | SMILES: | O=C(O)c2cc1cc(Cl)ccc1n2 | InChi: | InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) | 定義日: | 2014-12-11 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 5-chloro-1H-indole-2-carboxylic acid |
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![3ZJ 3ZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZJ.svg) | 3ZJ | 表記: | N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide | 組成式: | C27 H39 N3 O6 S | SMILES: | O=S(=O)(NC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)Cc3ccccc3 | InChi: | InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | 定義日: | 2014-12-17 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide |
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![3ZK 3ZK](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZK.svg) | 3ZK | 表記: | 4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide | 組成式: | C27 H39 N3 O6 S | SMILES: | O=S(=O)(NC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)c3ccc(cc3)C | InChi: | InChI=1S/C27H39N3O6S/c1-19(2)30(27(31)21-9-12-25(35-5)26(15-21)36-14-6-13-34-4)18-22-16-28-17-24(22)29-37(32,33)23-10-7-20(3)8-11-23/h7-12,15,19,22,24,28-29H,6,13-14,16-18H2,1-5H3/t22-,24+/m0/s1 | 定義日: | 2014-12-17 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide |
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![3ZN 3ZN](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZN.svg) | 3ZN | 表記: | (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate | 組成式: | C28 H39 N3 O6 | SMILES: | O=C(OC2C(CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)CNC2)NCc3ccccc3 | InChi: | InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | 定義日: | 2014-12-22 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate |
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![3ZR 3ZR](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZR.svg) | 3ZR | 表記: | diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | 組成式: | C28 H39 Cl N3 O8 P | SMILES: | O=C1N=CC=C1CC(NC(=O)C(NC(=O)OCc2cccc(Cl)c2)CC3CCCCC3)C(O)P(=O)(OCC)OCC | InChi: | InChI=1S/C28H39ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24,27,35H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-,27?/m0/s1 | 定義日: | 2014-12-18 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate |
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![99S 99S](https://data.pdbj.org/pdbjplus/data/cc/svg/99S.svg) | 99S | 表記: | methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate | 組成式: | C24 H21 N5 O3 S | SMILES: | N#CC2=C(Oc1nnc(c1C2(c4cc(C#N)cc(c3sc(C(=O)OC)cc3)c4)C(C)C)C)N | InChi: | InChI=1S/C24H21N5O3S/c1-12(2)24(17(11-26)21(27)32-22-20(24)13(3)28-29-22)16-8-14(10-25)7-15(9-16)18-5-6-19(33-18)23(30)31-4/h5-9,12H,27H2,1-4H3,(H,28,29)/t24-/m0/s1 | 定義日: | 2014-06-09 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate |
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![DZX DZX](https://data.pdbj.org/pdbjplus/data/cc/svg/DZX.svg) | DZX | 表記: | DEOXY-GALACTO-NOEUROSTEGINE | 組成式: | C8 H15 N O3 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2CC[CH]1N2 | InChi: | InChI=1S/C8H15NO3/c10-3-4-5-1-2-6(9-5)8(12)7(4)11/h4-12H,1-3H2/t4-,5+,6-,7-,8+/m0/s1 | 定義日: | 2015-03-17 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | (1R,2R,3S,4R,5S)-2-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-3,4-diol |
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![2K9 2K9](https://data.pdbj.org/pdbjplus/data/cc/svg/2K9.svg) | 2K9 | 表記: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one | 組成式: | C19 H11 N3 O | SMILES: | O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45 | InChi: | InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H | 定義日: | 2013-11-14 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one |
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![4E1 4E1](https://data.pdbj.org/pdbjplus/data/cc/svg/4E1.svg) | 4E1 | 表記: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid | 組成式: | C16 H9 I N2 O2 | SMILES: | c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I | InChi: | InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21) | 定義日: | 2015-03-05 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid |
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![4E2 4E2](https://data.pdbj.org/pdbjplus/data/cc/svg/4E2.svg) | 4E2 | 表記: | 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid | 組成式: | C16 H8 Cl I N2 O2 | SMILES: | O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Cl | InChi: | InChI=1S/C16H8ClIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22) | 定義日: | 2015-03-05 | 最終更新日: | 2015-03-20 | 公開日: | 2015-03-25 | 識別子(ID): | 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid |
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