4-[3-氨基-5-(1-甲基胍基)戊酰氨基]-1-[4-氨基-2-氧代-1(2H)-嘧啶基]-1,2,3,4-四脱氧-β,D赤己-2-烯吡喃糖醛酸
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| 英文名 |
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Blasticidin S Hydrochloride |
| 别名 |
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(2S,3S,6R)-3-[[3-Amino-5-(Carbamimidoyl-Methyl-Amino)Pentanoyl]Amino]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-3-[[3-Amino-5-(Carbamimidoyl-Methylamino)-1-Oxopentyl]Amino]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-3-[[5-(Amidino-Methyl-Amino)-3-Amino-Pentanoyl]Amino]-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid |
| 产品名称 |
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杀稻瘟菌素 S 盐酸盐 |
| 分子式 |
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C17H26N8O5 |
| 分子量 |
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422.44 |
| CAS 登录号 |
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2079-00-7 |
| 分子行输入简码 SMILES |
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[C@@H]2(N1C(N=C(C=C1)N)=O)O[C@H](C(=O)O)[C@H](C=C2)NC(CC(CCN(C(=N)N)C)N)=O |
| 国际化学标识码 InChI |
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1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13+,14-/m0/s1 |
| 国际化学标识检索码 InChIKey |
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CXNPLSGKWMLZPZ-LBLJTAPMSA-N |
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物理化学性质
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参考文献
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Sean Ekins, Takushi Kaneko, Christopher A. Lipinski, Justin Bradford, Krishna Dole, Anna Spektor, Kellan Gregory, David Blondeau, Sylvia Ernst, Jeremy Yang, Nicko Goncharoff, Moses M. Hohman and Barry A. Bunin. Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis, Mol. Biosyst., 2010, 6, 2316.
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