HIT ID: HIT218852385
Cas No: 118427-55-7
分子式: C27H33ClNNaO2S
分子量: 494.07
常用名: MK-886 sodium salt
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoate
IUPAC: sodium 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoate
SMILES: [Na+].CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
SMILES: [Na+].CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
InChI key: CBNCIYNCWVGEKJ-UHFFFAOYSA-M
