6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid

Systemtic Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Openeye Name: 6-(tert-butoxycarbonylamino)-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(1-propyl-4-imidazolyl)methyl]hexanoic acid IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Traditional Name: 6-(tert-butoxycarbonylamino)-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid Formula: C18H31N3O4 MolecularWeight: 353.45644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(CCCCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCN1C=C(N=C1)CC(CCCCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H31N3O4/c1-5-10-21-12-15(20-13-21)11-14(16(22)23)8-6-7-9-19-17(24)25-18(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,24)(H,22,23)