HIT ID: HIT212080596
Cas No: 2140807-42-5
分子式: C32H46N4O9S
分子量: 662.8
常用名: (S,R,S)-AHPC-PEG3-propionic acid
常用名: (S,R,S)-AHPC-PEG3-propionic acid
氢键受体数 (HBA): 10
氢键供体数 (HBD): 4
LogP: 0.22017321
IUPAC: 3-{2-[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]ethoxy}propanoic acid
IUPAC: 3-{2-[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]ethoxy}propanoic acid
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(O)=O)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(O)=O)C(C)(C)C)cc1
InChI key: YHEJFYORSLEJKX-BEYSDYMESA-N
