分子结构:
CCD编号:CCD00783338
GENINTHIOCIN
CAS号:
158792-27-9
分子式:C50 H49 N15 O15 S
分子量:1132.09
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| 产品名称： | GENINTHIOCIN |
| CAS： | 158792-27-9 |
| 英文同义词： | GENINTHIOCIN |
| MDL号： | MFCD09752730 |
| 氢键受体数量： | 30 |
| 氢键供体数量： | 12 |
| Smile： | C/C=C/1\c2nc(co2)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)c3nc(c(o3)C)C(=O)NC(=C)C(=O)NC(=C)c4nc(co4)-c5c(ccc(n5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)-c6nc(cs6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O |
| InChi： | InChI=1S/C50H49N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-17,24,32,35,66,77H,2-7H2,1,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12+ |
| InChiKey： | InChIKey=JNUIXQXFKIJDIV-KKMKTNMSSA-N |
基本信息
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