HIT ID: HIT212714452
Cas No: 163633-45-2
分子式: C33H36N2O4S
分子量: 556.72
常用名: AG 1254
氢键受体数 (HBA): 4
氢键供体数 (HBD): 4
LogP: 5.98799
IUPAC: N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-(naphthalen-2-ylsulfanyl)butan-2-yl]-3-hydroxy-2-methylbenzamide
IUPAC: N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-(naphthalen-2-ylsulfanyl)butan-2-yl]-3-hydroxy-2-methylbenzamide
SMILES: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
SMILES: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
InChI key: XKLHCHNIJIXLKU-MFMCTBQISA-N
