![CS7 CS7](https://data.pdbj.org/pdbjplus/data/cc/svg/CS7.svg) | CS7 | 表記: | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | 組成式: | C35 H43 F2 N3 O4 | SMILES: | O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCC(OCc3ccccc3)C4)C | InChi: | InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 | 定義日: | 2007-07-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | N'-[(1S,2R)-2-[(2R,4R)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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![CS8 CS8](https://data.pdbj.org/pdbjplus/data/cc/svg/CS8.svg) | CS8 | 表記: | 3-THIAOCTANOYL-COENZYME A | 組成式: | C28 H48 N7 O17 P3 S2 | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CSCCCCC | InChi: | InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1 | 定義日: | 2003-05-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (pentylsulfanyl)ethanethioate (non-preferred name) |
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![CS9 CS9](https://data.pdbj.org/pdbjplus/data/cc/svg/CS9.svg) | CS9 | 表記: | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | 組成式: | C34 H41 F2 N3 O4 | SMILES: | O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCC(Oc3ccccc3)C4 | InChi: | InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 | 定義日: | 2007-07-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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![CSA CSA](https://data.pdbj.org/pdbjplus/data/cc/svg/CSA.svg) | CSA | 表記: | S-ACETONYLCYSTEINE | 組成式: | C6 H11 N O3 S | SMILES: | O=C(O)C(N)CSCC(=O)C | InChi: | InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 | 定義日: | 2000-09-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-(2-oxopropyl)-L-cysteine |
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![CSJ CSJ](https://data.pdbj.org/pdbjplus/data/cc/svg/CSJ.svg) | CSJ | 表記: | S-[(2-aminophenyl)carbonyl]-L-cysteine | 組成式: | C10 H12 N2 O3 S | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1N | InChi: | InChI=1S/C10H12N2O3S/c11-7-4-2-1-3-6(7)10(15)16-5-8(12)9(13)14/h1-4,8H,5,11-12H2,(H,13,14)/t8-/m0/s1 | 定義日: | 2009-05-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-[(2-aminophenyl)carbonyl]-L-cysteine |
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![CT9 CT9](https://data.pdbj.org/pdbjplus/data/cc/svg/CT9.svg) | CT9 | 表記: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE | 組成式: | C23 H33 N7 O2 S | SMILES: | O=S(=O)(N(C)C)c1ccc(cc1)Nc2cc(nc3c(cnn23)C(C)C)NC4CCC(N)CC4 | InChi: | InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17- | 定義日: | 2005-01-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-({5-[(trans-4-aminocyclohexyl)amino]-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzenesulfonamide |
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![CTJ CTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/CTJ.svg) | CTJ | 表記: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium | 組成式: | C22 H25 N6 O7 S2 | SMILES: | O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3)(C)C | InChi: | InChI=1S/C22H24N6O7S2/c1-22(2,20(33)34)35-27-16(14-11-37-21(23)25-14)17(30)24-13(9-29)18-26-15(19(31)32)12(10-36-18)8-28-6-4-3-5-7-28/h3-7,9,11,13,18,26H,8,10H2,1-2H3,(H4-,23,24,25,30,31,32,33,34)/p+1/b27-16-/t13-,18-/m1/s1 | 定義日: | 2010-10-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium |
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![9HI 9HI](https://data.pdbj.org/pdbjplus/data/cc/svg/9HI.svg) | 9HI | 表記: | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid | 組成式: | C33 H35 F2 N3 O7 S | SMILES: | O=C(N)c1ccc(cc1)NS(=O)(=O)c3c(c(c2ccc(F)cc2)n(c3C(C)C)CCC(O)CC(O)CC(=O)O)c4ccc(F)cc4 | InChi: | InChI=1S/C33H35F2N3O7S/c1-19(2)30-32(46(44,45)37-25-13-7-22(8-14-25)33(36)43)29(20-3-9-23(34)10-4-20)31(21-5-11-24(35)12-6-21)38(30)16-15-26(39)17-27(40)18-28(41)42/h3-14,19,26-27,37,39-40H,15-18H2,1-2H3,(H2,36,43)(H,41,42)/t26-,27-/m1/s1 | 定義日: | 2008-02-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid |
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![9JZ 9JZ](https://data.pdbj.org/pdbjplus/data/cc/svg/9JZ.svg) | 9JZ | 表記: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide | 組成式: | C28 H38 N6 O3 | SMILES: | O=C(N3C(C(=O)Nc2ccccc2c1ncccn1)C(C)CC3)C(NC(=O)C(NC)C)C4CCCCC4 | InChi: | InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | 定義日: | 2009-06-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide |
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![9NF 9NF](https://data.pdbj.org/pdbjplus/data/cc/svg/9NF.svg) | 9NF | 表記: | DANSYL-L-PHENYLALANINE | 組成式: | C21 H22 N2 O4 S | SMILES: | O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc3ccccc3 | InChi: | InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1 | 定義日: | 2010-10-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-phenylalanine |
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![CX1 CX1](https://data.pdbj.org/pdbjplus/data/cc/svg/CX1.svg) | CX1 | 表記: | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine | 組成式: | C33 H35 N5 O7 | SMILES: | O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)OCc1ccccc1)Cc2ncnc2)C)Cc3ccccc3)Cc4ccc(O)cc4 | InChi: | InChI=1S/C33H35N5O7/c1-38(31(41)27(18-25-19-34-21-35-25)37-33(44)45-20-24-10-6-3-7-11-24)29(17-22-8-4-2-5-9-22)30(40)36-28(32(42)43)16-23-12-14-26(39)15-13-23/h2-15,19,21,27-29,39H,16-18,20H2,1H3,(H,34,35)(H,36,40)(H,37,44)(H,42,43)/t27-,28-,29-/m0/s1 | 定義日: | 2008-02-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-histidyl-N-methyl-L-phenylalanyl-L-tyrosine |
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![CXA CXA](https://data.pdbj.org/pdbjplus/data/cc/svg/CXA.svg) | CXA | 表記: | PHENYLALANINE-N-SULFONAMIDE | 組成式: | C9 H12 N2 O4 S | SMILES: | O=S(=O)(NC(C(=O)O)Cc1ccccc1)N | InChi: | InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1 | 定義日: | 2002-07-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-sulfamoyl-L-phenylalanine |
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![CXS CXS](https://data.pdbj.org/pdbjplus/data/cc/svg/CXS.svg) | CXS | 表記: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID | 組成式: | C9 H19 N O3 S | SMILES: | O=S(=O)(O)CCCNC1CCCCC1 | InChi: | InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13) | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-(cyclohexylamino)propane-1-sulfonic acid |
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![CY0 CY0](https://data.pdbj.org/pdbjplus/data/cc/svg/CY0.svg) | CY0 | 表記: | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE | 組成式: | C20 H21 N5 O3 S | SMILES: | O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3 | InChi: | InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1 | 定義日: | 2006-09-14 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine |
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![CY3 CY3](https://data.pdbj.org/pdbjplus/data/cc/svg/CY3.svg) | CY3 | 表記: | 2-AMINO-3-MERCAPTO-PROPIONAMIDE | 組成式: | C3 H8 N2 O S | SMILES: | O=C(N)C(N)CS | InChi: | InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1 | 定義日: | 1999-10-22 | 最終更新日: | 2011-06-04 | 識別子(ID): | L-cysteinamide |
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![CY7 CY7](https://data.pdbj.org/pdbjplus/data/cc/svg/CY7.svg) | CY7 | 表記: | S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}-3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN-6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]-3-OXOPROPYL}-L-CYSTEINE | 組成式: | C33 H36 Cl N7 O5 S | SMILES: | O=C(O)C(N)CSC(CN(C)C)CC(=O)Nc4c(OCC)cc3c(/C(=N/c2ccc(OCc1ncccc1)c(Cl)c2)C(C#N)=CN3)c4 | InChi: | InChI=1S/C33H36ClN7O5S/c1-4-45-30-14-27-24(13-28(30)40-31(42)12-23(17-41(2)3)47-19-26(36)33(43)44)32(20(15-35)16-38-27)39-21-8-9-29(25(34)11-21)46-18-22-7-5-6-10-37-22/h5-11,13-14,16,23,26H,4,12,17-19,36H2,1-3H3,(H,38,39)(H,40,42)(H,43,44)/t23-,26-/m0/s1 | 定義日: | 2007-07-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-{(1S)-3-{[(4Z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-L-cysteine |
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![CYB CYB](https://data.pdbj.org/pdbjplus/data/cc/svg/CYB.svg) | CYB | 表記: | PHYCOUROBILIN | 組成式: | C32 H40 N4 O6 | SMILES: | CCC1=CC(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C32H40N4O6/c1-6-19-12-29(37)35-26(19)14-24-18(5)22(9-11-31(40)41)28(34-24)15-27-21(8-10-30(38)39)17(4)23(33-27)13-25-16(3)20(7-2)32(42)36-25/h12,15,25-26,34H,6-11,13-14H2,1-5H3,(H,35,37)(H,36,42)(H,38,39)(H,40,41)/b27-15-/t25-,26-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-(2-[(Z)-(3-(2-carboxyethyl)-5-{[(2S)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene)methyl]-5-{[(2S)-3-ethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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![CYV CYV](https://data.pdbj.org/pdbjplus/data/cc/svg/CYV.svg) | CYV | 表記: | ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | 組成式: | C32 H54 N4 O9 | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)CC=C(/C)C)C(C)C)CO | InChi: | InChI=1S/C32H54N4O9/c1-9-44-26(39)13-12-23(16-22-14-15-33-28(22)40)34-29(41)21(11-10-19(2)3)17-25(38)27(20(4)5)36-30(42)24(18-37)35-31(43)45-32(6,7)8/h10,20-24,27,37H,9,11-18H2,1-8H3,(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24+,27+/m1/s1 | 定義日: | 2007-07-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | ethyl (4R)-4-{[(2R,5S)-5-{[N-(tert-butoxycarbonyl)-L-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3R)-2-oxopyrrolidin-3-yl]pentanoate |
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![CZ3 CZ3](https://data.pdbj.org/pdbjplus/data/cc/svg/CZ3.svg) | CZ3 | 表記: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole] | 組成式: | C46 H60 N14 O6 S2 | SMILES: | O=C(N3C(Cn2nnnc2Sc1ccccc1)CCC3)C(NC(=O)C(NC)C)C(OCC#CC#CCOC(C)C(NC(=O)C(NC)C)C(=O)N4CCCC4Cn6nnnc6Sc5ccccc5)C | InChi: | InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33+,34+,35-,36-,39-,40-/m0/s1 | 定義日: | 2009-03-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole] |
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![CZ9 CZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/CZ9.svg) | CZ9 | 表記: | N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | 組成式: | C17 H23 B N4 O7 | SMILES: | O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)Cc2ccc(O)cc2 | InChi: | InChI=1S/C17H23BN4O7/c1-2-21-7-8-22(16(26)15(21)25)17(27)20-13(14(24)19-10-18(28)29)9-11-3-5-12(23)6-4-11/h3-6,13,23,28-29H,2,7-10H2,1H3,(H,19,24)(H,20,27)/t13-/m1/s1 | 定義日: | 2010-07-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide |
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![D1L D1L](https://data.pdbj.org/pdbjplus/data/cc/svg/D1L.svg) | D1L | 表記: | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | 組成式: | C15 H12 Cl2 O4 | SMILES: | Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1 | InChi: | InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1 | 定義日: | 2004-03-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid |
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![D1R D1R](https://data.pdbj.org/pdbjplus/data/cc/svg/D1R.svg) | D1R | 表記: | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE | 組成式: | C32 H40 N4 O4 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)Cc4ccccc4 | InChi: | InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | 定義日: | 2007-04-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide |
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![D2P D2P](https://data.pdbj.org/pdbjplus/data/cc/svg/D2P.svg) | D2P | 表記: | (2S)-2,3-DICHLOROPROPAN-1-OL | 組成式: | C3 H6 Cl2 O | SMILES: | ClCC(Cl)CO | InChi: | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1 | 定義日: | 2004-12-09 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-2,3-dichloropropan-1-ol |
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![D3E D3E](https://data.pdbj.org/pdbjplus/data/cc/svg/D3E.svg) | D3E | 表記: | N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | 組成式: | C24 H27 F3 N2 O2 | SMILES: | FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3cccnc3)CC4)C | InChi: | InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1 | 定義日: | 2008-05-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide |
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![D4N D4N](https://data.pdbj.org/pdbjplus/data/cc/svg/D4N.svg) | D4N | 表記: | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide | 組成式: | C19 H26 F3 N3 O4 S | SMILES: | FC(F)(F)C(O)(c1ccc(cc1)S(=O)(=O)N3C(CN(CC2(C(=O)N)CC2)CC3)C)C | InChi: | InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | 定義日: | 2008-05-15 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide |
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