(2R)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxycarbonylanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-carbethoxyanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO

InChI

InChI=1S/C16H22N2O6/c1-2-24-16(23)11-4-6-12(7-5-11)18-14(20)10-13(15(21)22)17-8-3-9-19/h4-7,13,17,19H,2-3,8-10H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1