(2R)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(2,4-dimethoxyanilino)-4-keto-2-(phenethylammonio)butyrate Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H24N2O5/c1-26-15-8-9-16(18(12-15)27-2)22-19(23)13-17(20(24)25)21-11-10-14-6-4-3-5-7-14/h3-9,12,17,21H,10-11,13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m1/s1