(2R)-4-[(2,6-diethylphenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-diethylanilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-diethylanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-diethylanilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)[O-])[NH2+]CCO

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO

InChI

InChI=1S/C16H24N2O4/c1-3-11-6-5-7-12(4-2)15(11)18-14(20)10-13(16(21)22)17-8-9-19/h5-7,13,17,19H,3-4,8-10H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1