HIT ID: HIT218850172
Cas No:
分子式: C24H32N3NaO9S
分子量: 561.58
常用名: Mpro ligand 2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium (1R,2S)-1-hydroxy-2-[(2S)-4-methyl-2-[({[4-(prop-2-yn-1-yloxy)phenyl]methoxy}carbonyl)amino]pentanamido]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
IUPAC: sodium (1R,2S)-1-hydroxy-2-[(2S)-4-methyl-2-[({[4-(prop-2-yn-1-yloxy)phenyl]methoxy}carbonyl)amino]pentanamido]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].CC(C)C[C@H](NC(=O)OCc1ccc(OCC#C)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S([O-])(=O)=O
SMILES: [Na+].CC(C)C[C@H](NC(=O)OCc1ccc(OCC#C)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S([O-])(=O)=O
InChI key: OVVWETAZJZLIIT-OVFFYUQJSA-M
