2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(1-propylbenzimidazol-2-yl)butanoic acid

Systemtic Name: 2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(1-propylbenzimidazol-2-yl)butanoic acid Openeye Name: 2-[tert-butoxycarbonyl(cyclohexylmethyl)amino]-4-(1-propylbenzimidazol-2-yl)butanoic acid CAS Name: 2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-propyl-2-benzimidazolyl)butanoic acid IUPAC Name: 2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(1-propylbenzimidazol-2-yl)butanoic acid Traditional Name: 2-[tert-butoxycarbonyl(cyclohexylmethyl)amino]-4-(1-propylbenzimidazol-2-yl)butyric acid Formula: C26H39N3O4 MolecularWeight: 457.60556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1CCC(C(=O)O)N(CC3CCCCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1CCC(C(=O)O)N(CC3CCCCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H39N3O4/c1-5-17-28-21-14-10-9-13-20(21)27-23(28)16-15-22(24(30)31)29(25(32)33-26(2,3)4)18-19-11-7-6-8-12-19/h9-10,13-14,19,22H,5-8,11-12,15-18H2,1-4H3,(H,30,31)