1-butyl-3-oxidanylidene-1-[2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]propanoyl]imidazolidine-1,3-diium-4-carboxylate

Systemtic Name: 1-butyl-3-oxidanylidene-1-[2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]propanoyl]imidazolidine-1,3-diium-4-carboxylate Openeye Name: 1-[2-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1-butyl-3-oxo-imidazolidine-1,3-diium-4-carboxylate CAS Name: 1-butyl-3-oxo-1-[1-oxo-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propyl]-4-imidazolidine-1,3-diiumcarboxylate IUPAC Name: 1-butyl-3-oxo-1-[2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propanoyl]imidazolidine-1,3-diium-4-carboxylate Traditional Name: 1-butyl-1-[2-[(1-carbobenzoxy-3-phenyl-propyl)amino]propanoyl]-3-keto-imidazolidine-1,3-diium-4-carboxylate Formula: C28H36N3O6+ MolecularWeight: 510.60194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)C(C)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)C(C)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36N3O6/c1-3-4-17-31(18-25(27(33)34)30(36)20-31)26(32)21(2)29-24(16-15-22-11-7-5-8-12-22)28(35)37-19-23-13-9-6-10-14-23/h5-14,21,24-25,29H,3-4,15-20H2,1-2H3/q+1