HIT ID: HIT214315075
Cas No: 817586-01-9
分子式: C26H29F3N4O5S
分子量: 566.6
常用名: FTI-2148 diTFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[5-({[(1H-imidazol-5-yl)methyl]amino}methyl)-2'-methyl-[1,1'-biphenyl]-2-yl]formamido}-4-(methylsulfanyl)butanoic acid; trifluoroacetic acid
IUPAC: (2S)-2-{[5-({[(1H-imidazol-5-yl)methyl]amino}methyl)-2'-methyl-[1,1'-biphenyl]-2-yl]formamido}-4-(methylsulfanyl)butanoic acid; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
SMILES: OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
InChI key: ZCCUFUPJNUTGJM-FTBISJDPSA-N
