Aplysistatin
HIT212714800
sdf文件结构编辑类似物检索
HIT ID: HIT212714800
Cas No: 62003-89-8
分子式: C15H21BrO3
分子量: 329.234
常用名: Aplysistatin
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 3.3778253
IUPAC: (1S,3R,10S,12S)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0^{3,7}]tetradec-7-en-6-one
IUPAC: (1S,3R,10S,12S)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0^{3,7}]tetradec-7-en-6-one
SMILES: CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@@H]12 |c:16|
SMILES: CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@@H]12 |c:16|
InChI key: BEMNKPXNGWTBLQ-ASHKBJFXSA-N
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