Name: BT-33
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772541
Cas No:2999743-86-9
常用名:BT-33
IUPAC:(4S,5aS,8S,8aR)-N-[(1R,4R,6E,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide
IUPAC:(4S,5aS,8S,8aR)-N-[(1R,4R,6E,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide
InChI key:InChIKey=GLEYKIFUQKWPHN-SOMNOGDWSA-N

分子式:C26H43FN2O6S
分子量:530.7
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CN[C@H](C(=O)N[C@@H]3[C@H](C)\C=C\C[C@@H](F)CS[C@@]4([H])O[C@@]3([H])[C@H](O)[C@H](O)[C@H]4O)[C@]1([H])OCC[C@@H](CC(C)C)C2
SMILES:[H][C@]12CN[C@H](C(=O)N[C@@H]3[C@H](C)\C=C\C[C@@H](F)CS[C@@]4([H])O[C@@]3([H])[C@H](O)[C@H](O)[C@H]4O)[C@]1([H])OCC[C@@H](CC(C)C)C2

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