6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid

Systemtic Name: 6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Openeye Name: 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-[(1-propyl-4-imidazolyl)methyl]hexanoic acid IUPAC Name: 6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Traditional Name: 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Formula: C25H37N3O4 MolecularWeight: 443.57898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCN1C=C(N=C1)CC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H37N3O4/c1-5-14-27-18-22(26-19-27)16-21(23(29)30)13-9-10-15-28(24(31)32-25(2,3)4)17-20-11-7-6-8-12-20/h6-8,11-12,18-19,21H,5,9-10,13-17H2,1-4H3,(H,29,30)