Name: (Z)-Akuammidine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314621
Cas No:113973-31-2
常用名:(Z)-Akuammidine
别名:钩吻素丁
IUPAC:methyl (1S,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraene-13-carboxylate
IUPAC:methyl (1S,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraene-13-carboxylate
InChI key:RCEFXZXHYFOPIE-DNTDCJNWSA-N

分子式:C21H24N2O3
分子量:352.434
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12Cc3c([nH]c4ccccc34)[C@@H]3C[C@@H](\C(CN13)=C\C)[C@]2(CO)C(=O)OC |@@:17,TLB:23:20:12.13:15.16,23:20:17:4.3.2,21:20:12.13:15.16,21:20:17:4.3.2,2:1:12.13:15.16,11:3:17:20.13.14,5:4:17:20.13.14,THB:15:14:17:4.3.2,16:17:20.13.14:4.3.2|
SMILES:[H][C@@]12Cc3c([nH]c4ccccc34)[C@@H]3C[C@@H](\C(CN13)=C\C)[C@]2(CO)C(=O)OC |@@:17,TLB:23:20:12.13:15.16,23:20:17:4.3.2,21:20:12.13:15.16,21:20:17:4.3.2,2:1:12.13:15.16,11:3:17:20.13.14,5:4:17:20.13.14,THB:15:14:17:4.3.2,16:17:20.13.14:4.3.2|

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