BQ-788
HIT212671107
sdf文件结构编辑类似物检索
HIT ID: HIT212671107
Cas No: 173326-37-9
分子式: C34H51N5O7
分子量: 641.81
常用名: BQ-788
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 4.624426
IUPAC: (2R)-2-[(2R)-2-[(2S)-2-{[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino}-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoic acid
IUPAC: (2R)-2-[(2R)-2-[(2S)-2-{[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino}-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoic acid
SMILES: CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
SMILES: CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
InChI key: LPAHKJMGDSJDRG-DJYQTOCQSA-N
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