3-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C28H36N4O3/c1-28(2,3)21-12-14-22(15-13-21)32(27-30-23-6-4-5-7-24(23)31-27)18-19-8-10-20(11-9-19)26(35)29-17-16-25(33)34/h4-11,21-22H,12-18H2,1-3H3,(H,29,35)(H,30,31)(H,33,34)