HIT ID: HIT212689119
Cas No: 19405-50-6
分子式: C20H30N4O8S
分子量: 486.54
常用名: Acth (1-4)
氢键受体数 (HBA): 9
氢键供体数 (HBD): 8
LogP: -4.546583
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(O)=O
InChI key: GTYVWTFUSMUWHM-VGWMRTNUSA-N
