HIT ID: HIT212715947
Cas No: 81788-49-0
分子式: C27H35N5O10S2
分子量: 653.72
常用名: Enkephalin-met, tyr-O-sulfate
氢键受体数 (HBA): 10
氢键供体数 (HBD): 7
LogP: -1.6880851
IUPAC: (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-[4-(sulfooxy)phenyl]propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
IUPAC: (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-[4-(sulfooxy)phenyl]propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)C(O)=O
InChI key: RKNIEXRSVGCDHY-FKBYEOEOSA-N
