HIT ID: HIT212708636
Cas No: 251577-09-0
分子式: C24H28N4O3S
分子量: 452.57
常用名: FTI-2148
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 0.8454417
IUPAC: (2S)-2-{[5-({[(1H-imidazol-5-yl)methyl]amino}methyl)-2'-methyl-[1,1'-biphenyl]-2-yl]formamido}-4-(methylsulfanyl)butanoic acid
IUPAC: (2S)-2-{[5-({[(1H-imidazol-5-yl)methyl]amino}methyl)-2'-methyl-[1,1'-biphenyl]-2-yl]formamido}-4-(methylsulfanyl)butanoic acid
SMILES: CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
SMILES: CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
InChI key: KULAYTGUTXCHSV-QFIPXVFZSA-N
