(2R)-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-[2-(3,4-dimethoxyphenyl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-anilino-2-[2-(3,4-dimethoxyphenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-anilino-2-(homoveratrylammonio)-4-keto-butyrate Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C20H24N2O5/c1-26-17-9-8-14(12-18(17)27-2)10-11-21-16(20(24)25)13-19(23)22-15-6-4-3-5-7-15/h3-9,12,16,21H,10-11,13H2,1-2H3,(H,22,23)(H,24,25)/t16-/m1/s1