2-[[1-cyclohexyl-2-(7-fluoranyl-2-phenyl-quinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(7-fluoranyl-2-phenyl-quinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(7-fluoro-2-phenyl-quinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(7-fluoro-2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(7-fluoro-2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(7-fluoro-2-phenyl-quinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-(methylthio)butyric acid Formula: C33H32FN5O3S MolecularWeight: 597.702283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=NC=C(N=C4C=C3F)C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=NC=C(N=C4C=C3F)C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C33H32FN5O3S/c1-43-15-14-25(33(41)42)38-32(40)21-12-13-30-28(16-21)37-31(39(30)22-10-6-3-7-11-22)23-17-26-27(18-24(23)34)36-29(19-35-26)20-8-4-2-5-9-20/h2,4-5,8-9,12-13,16-19,22,25H,3,6-7,10-11,14-15H2,1H3,(H,38,40)(H,41,42)