N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)succinamide; formic acid, (S,S)-TAPI-1 FA, (S,S)-TAPI-1 甲酸盐
HIT218700927
sdf文件结构编辑类似物检索
HIT ID: HIT218700927
Cas No: T63390L
分子式: C27H39N5O7
分子量: 545.637
常用名: N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)succinamide; formic acid, (S,S)-TAPI-1 FA, (S,S)-TAPI-1 甲酸盐
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide; formic acid
SMILES: OC=O.CC(C)CC(CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCCN
InChI key: YZUIWPCWMCFWRL-CXTYQMHHSA-N
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