HIT ID: HIT212693092
Cas No: 1019112-29-8
分子式: C30H30ClFN2O3
分子量: 521.03
常用名: MK3577
氢键受体数 (HBA): 3
氢键供体数 (HBD): 3
LogP: 7.2548304
IUPAC: 3-({4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]phenyl}formamido)propanoic acid
IUPAC: 3-({4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]phenyl}formamido)propanoic acid
SMILES: CCC[C@@H]([C@@H](c1c[nH]c2c(F)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
SMILES: CCC[C@@H]([C@@H](c1c[nH]c2c(F)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
InChI key: FYRJJCYFYLLOSC-LXFBAYGMSA-N
