(2R)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxycarbonylanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(4-ethoxycarbonylanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxycarbonylanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(4-carbethoxyanilino)-4-keto-butyrate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)[O-]

Isomeric SMILES

CCCCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)[O-]

InChI

InChI=1S/C18H26N2O5/c1-3-5-6-11-19-15(17(22)23)12-16(21)20-14-9-7-13(8-10-14)18(24)25-4-2/h7-10,15,19H,3-6,11-12H2,1-2H3,(H,20,21)(H,22,23)/t15-/m1/s1