(2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,5-dimethoxyanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,5-dimethoxyanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,5-dimethoxyanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=C(C=CC(=C1)OC)OC)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)OC)OC)C(=O)[O-]

InChI

InChI=1S/C16H24N2O5/c1-10(2)9-17-13(16(20)21)8-15(19)18-12-7-11(22-3)5-6-14(12)23-4/h5-7,10,13,17H,8-9H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1