HIT ID: HIT212078224
Cas No: 2172820-09-4
分子式: C30H42N4O8S
分子量: 618.75
常用名: (S,R,S)-AHPC-PEG2-acid
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: 0.22985385
IUPAC: 3-[2-(2-{[(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]carbamoyl}ethoxy)ethoxy]propanoic acid
IUPAC: 3-[2-(2-{[(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]carbamoyl}ethoxy)ethoxy]propanoic acid
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCC(O)=O)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCC(O)=O)C(C)(C)C)cc1
InChI key: SIVZLYPNCHCMRW-QSEAXJEQSA-N
