HIT ID: HIT212712794
Cas No: 452339-68-3
分子式: C25H38N2O6S
分子量: 494.65
常用名: GW-597901
氢键受体数 (HBA): 7
氢键供体数 (HBD): 5
LogP: 2.0663636
IUPAC: 3-{4-[(6-{[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino}hexyl)oxy]butyl}benzene-1-sulfonamide
IUPAC: 3-{4-[(6-{[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino}hexyl)oxy]butyl}benzene-1-sulfonamide
SMILES: NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
SMILES: NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
InChI key: GBTODAKMABNGIJ-VWLOTQADSA-N
