(3S)-3-(2-hydroxyethylazaniumyl)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(2-hydroxyethylazaniumyl)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-hydroxyethylammonio)-4-(2-methoxycarbonylanilino)-4-oxo-butanoate CAS Name: (3S)-3-(2-hydroxyethylammonio)-4-(2-methoxycarbonylanilino)-4-oxobutanoate IUPAC Name: (3S)-3-(2-hydroxyethylazaniumyl)-4-(2-methoxycarbonylanilino)-4-oxobutanoate Traditional Name: (3S)-4-(2-carbomethoxyanilino)-3-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CC(=O)[O-])[NH2+]CCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@H](CC(=O)[O-])[NH2+]CCO

InChI

InChI=1S/C14H18N2O6/c1-22-14(21)9-4-2-3-5-10(9)16-13(20)11(8-12(18)19)15-6-7-17/h2-5,11,15,17H,6-8H2,1H3,(H,16,20)(H,18,19)/t11-/m0/s1