Name: Bocanta
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319128
Cas No:63520-00-3
常用名:Bocanta
别名:NSC-350855, NSC350855, NSC 350855
IUPAC:benzyl N-[(1R,4S,7R,14R,17S,20R)-20-{[(benzyloxy)carbonyl]amino}-4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-bis(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontan-7-yl]carbamate
IUPAC:benzyl N-[(1R,4S,7R,14R,17S,20R)-20-{[(benzyloxy)carbonyl]amino}-4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-bis(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontan-7-yl]carbamate
InChI key:VACNEHMJUCTSDI-GXCKEAQESA-N

分子式:C44H58N8O14S2
分子量:987.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@@H](COC(=O)C(NC1=O)C(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N2 |@:25,43|
SMILES:[H][C@]12CSSC[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@@H](COC(=O)C(NC1=O)C(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N2 |@:25,43|

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