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

Systemtic Name: 3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C37H39N5O3 MolecularWeight: 601.73726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6)C7CCCCC7

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6)C7CCCCC7

InChI

InChI=1S/C37H39N5O3/c43-36(41-32(37(44)45)20-24-10-4-1-5-11-24)27-17-19-34-31(22-27)40-35(42(34)28-14-8-3-9-15-28)26-16-18-29-30(21-26)38-23-33(39-29)25-12-6-2-7-13-25/h2,6-7,12-13,16-19,21-24,28,32H,1,3-5,8-11,14-15,20H2,(H,41,43)(H,44,45)