(2R)-2-(butylazaniumyl)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(2-methoxycarbonylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(2-methoxycarbonylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(2-methoxycarbonylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-(2-carbomethoxyanilino)-4-keto-butyrate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-3-4-9-17-13(15(20)21)10-14(19)18-12-8-6-5-7-11(12)16(22)23-2/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1