(S,R,S)-AHPC-Boc
HIT212060892
sdf文件结构编辑类似物检索
HIT ID: HIT212060892
Cas No: 1448189-98-7
分子式: C27H38N4O5S
分子量: 530.68
常用名: (S,R,S)-AHPC-Boc
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.342632
IUPAC: tert-butyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
IUPAC: tert-butyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1
InChI key: PKNFPFFOAWITLF-RZUBCFFCSA-N
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