2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-methyl-butyric acid Formula: C33H33N5O3 MolecularWeight: 547.64682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33N5O3/c1-20(2)30(33(40)41)37-32(39)23-14-16-29-27(18-23)36-31(38(29)24-11-7-4-8-12-24)22-13-15-25-26(17-22)34-19-28(35-25)21-9-5-3-6-10-21/h3,5-6,9-10,13-20,24,30H,4,7-8,11-12H2,1-2H3,(H,37,39)(H,40,41)