| 2TM | 表記: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | 組成式: | C10 H18 N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | InChi: | InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | 別名: | CMPcPP | 定義日: | 2014-01-30 | 最終更新日: | 2020-06-17 | 公開日: | 2014-05-07 | 識別子(ID): | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine |
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| 2TV | 表記: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C11 H12 N2 O6 S | SMILES: | O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O | InChi: | InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1 | 別名: | N-formyl 7-aminocephalosporanic acid, bound form | 定義日: | 2014-01-30 | 最終更新日: | 2020-06-17 | 公開日: | 2014-05-28 | 識別子(ID): | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| 2TX | 表記: | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane | 組成式: | C30 H50 O | SMILES: | O1C(C)(C)C1CCC(=CCCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C | InChi: | InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1 | 別名: | 2,3-Oxidosqualene | 定義日: | 2014-01-31 | 最終更新日: | 2020-06-17 | 公開日: | 2015-04-15 | 識別子(ID): | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane |
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| IM3 | 表記: | (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID | 組成式: | C9 H9 N O4 | SMILES: | O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1 | InChi: | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+ | 別名: | IMINO-DOPA | 定義日: | 2006-12-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid |
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| IM4 | 表記: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine | 組成式: | C9 H10 Cl N5 O2 | SMILES: | [O-][N+](=O)/N=C1NCCN1Cc2cnc(Cl)cc2 | InChi: | InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) | 別名: | imidacloprid | 定義日: | 2008-02-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine |
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| IM5 | 表記: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | 組成式: | C12 H17 N5 O3 | SMILES: | O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N | InChi: | InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1 | 別名: | DADMe-ImmG | 定義日: | 2010-11-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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| 2UO | 表記: | Mevastatin, Compactin | 組成式: | C23 H34 O5 | SMILES: | CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12 | InChi: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | 別名: | (1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-
1-yl (2S)-2-methylbutanoate | 定義日: | 2014-02-12 | 最終更新日: | 2020-06-17 | 公開日: | 2015-02-18 | 識別子(ID): | [(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate |
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| IMB | 表記: | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | 組成式: | C10 H12 N2 O6 P2 | SMILES: | O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O | InChi: | InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18) | 別名: | (3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE | 定義日: | 2004-04-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | [(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid) |
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| 2V0 | 表記: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C8 H12 N2 O4 S | SMILES: | O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C | InChi: | InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1 | 別名: | 7-aminodeacetoxycephalosporanic acid, hydrolyzed form | 定義日: | 2014-02-17 | 最終更新日: | 2020-06-17 | 公開日: | 2014-05-28 | 識別子(ID): | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| IMK | 表記: | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE | 組成式: | C14 H18 N2 O5 | SMILES: | OC1C(O)C(O)C(OC1CO)c3nc2cc(ccc2n3)C | InChi: | InChI=1S/C14H18N2O5/c1-6-2-3-7-8(4-6)16-14(15-7)13-12(20)11(19)10(18)9(5-17)21-13/h2-4,9-13,17-20H,5H2,1H3,(H,15,16)/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,2,3-BENZIMIDAZOLE | 定義日: | 2004-10-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1S)-1,5-anhydro-1-(5-methyl-1H-benzimidazol-2-yl)-D-glucitol |
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| 2V4 | 表記: | rabelomycin | 組成式: | C19 H14 O6 | SMILES: | O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O | InChi: | InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 | 別名: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione | 定義日: | 2014-02-19 | 最終更新日: | 2020-06-17 | 公開日: | 2014-10-01 | 識別子(ID): | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
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| 2VL | 表記: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl
}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 組成式: | C33 H36 N6 O3 S | SMILES: | O=C1N(C)CCN(C)C1c2ccc(cc2)NC3=NC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5sc6c(c5)CCCC6 | InChi: | InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1 | 別名: | GDC0834 | 定義日: | 2014-02-25 | 最終更新日: | 2020-06-17 | 公開日: | 2015-01-28 | 識別子(ID): | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
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| IN8 | 表記: | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | 組成式: | C19 H18 N4 O3 S2 | SMILES: | O=C(Nc1nnc(S)s1)CC(c2ccccc2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1 | 別名: | PNU-141803 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | benzyl {(1R)-3-oxo-1-phenyl-3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl}carbamate |
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| INS | 表記: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE | 組成式: | C6 H12 O6 | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | 別名: | MYO-INOSITOL | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol |
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| 2X7 | 表記: | (3E)-3-iminooxepin-2(3H)-one | 組成式: | C6 H5 N O2 | SMILES: | O=C1OC=CC=CC1=[N@H] | InChi: | InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+ | 別名: | (4Z,6Z)-3-iminooxepin-2(3H)-one | 定義日: | 2012-05-23 | 最終更新日: | 2020-06-17 | 公開日: | 2013-01-11 | 識別子(ID): | (3E)-3-iminooxepin-2(3H)-one |
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| 2XM | 表記: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) | 組成式: | C21 H27 N5 O4 S2 | SMILES: | OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3 | InChi: | InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26) | 別名: | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol | 定義日: | 2014-04-08 | 最終更新日: | 2020-06-17 | 公開日: | 2014-11-05 | 識別子(ID): | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol |
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| IP9 | 表記: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane
-1,2-diyl dioctanoate | 組成式: | C25 H50 O22 P4 | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC | InChi: | InChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t17-,20+,21+,22-,23+,24-,25-/m1/s1 | 別名: | L-a-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl | 定義日: | 2010-07-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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| IPE | 表記: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE | 組成式: | C5 H12 O7 P2 | SMILES: | O=P(OP(=O)(O)O)(OCCC(=C)C)O | InChi: | InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) | 別名: | ISOPENTENYL PYROPHOSPHATE | 定義日: | 2005-03-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-methylbut-3-en-1-yl trihydrogen diphosphate |
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| 2Y0 | 表記: | N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide | 組成式: | C20 H26 N6 O3 S3 | SMILES: | O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26) | 別名: | N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide | 定義日: | 2014-04-09 | 最終更新日: | 2020-06-17 | 公開日: | 2015-02-18 | 識別子(ID): | N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide |
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| 2Y2 | 表記: | N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa
nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide | 組成式: | C33 H48 N6 O5 S | SMILES: | O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC | InChi: | InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1 | 別名: | CP-108,420 | 定義日: | 2010-11-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide |
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| 2Y4 | 表記: | N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2
-yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide | 組成式: | C32 H49 F2 N5 O6 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1 | 別名: | CP-81,198 | 定義日: | 2010-11-09 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name) |
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| 2Y8 | 表記: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | 組成式: | C19 H22 F N5 O2 S2 | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1 | 別名: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | 定義日: | 2014-04-10 | 最終更新日: | 2020-06-17 | 公開日: | 2014-11-05 | 識別子(ID): | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
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| 2YS | 表記: | D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide | 組成式: | C18 H37 Cl N4 O3 | SMILES: | O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C | InChi: | InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1 | 別名: | D-VAL-LEU-LYS-chloromethylketone | 定義日: | 2014-04-29 | 最終更新日: | 2020-06-17 | 公開日: | 2014-09-03 | 識別子(ID): | D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide |
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| 2YT | 表記: | L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide | 組成式: | C25 H35 Cl N6 O3 | SMILES: | ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | InChi: | InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1 | 別名: | PHE-PHE-ARG-chloromethylketone | 定義日: | 2014-04-29 | 最終更新日: | 2020-06-17 | 公開日: | 2014-09-03 | 識別子(ID): | L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide |
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| 2Z0 | 表記: | N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)
butyl]glycinamide | 組成式: | C26 H37 Cl N7 O7 S | SMILES: | ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])N | InChi: | InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1 | 別名: | dansyl-Glu-Gly-Arg-chloromethyl-ketone | 定義日: | 2008-08-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]glycinamide |
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