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

Systemtic Name: sodium 6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate Openeye Name: sodium 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate CAS Name: sodium 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-[(1-propyl-4-imidazolyl)methyl]hexanoate IUPAC Name: sodium 6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate Traditional Name: sodium 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate Formula: C25H36N3NaO4 MolecularWeight: 465.56081

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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-].[Na+]

Isomeric SMILES

CCCN1C=C(N=C1)CC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H37N3O4.Na/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);/q;+1/p-1