(2S)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2S)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2S)-4-(2,4-dimethoxyanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(2,4-dimethoxyanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-(2,4-dimethoxyanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(2,4-dimethoxyanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O6/c1-22-10-4-5-11(13(8-10)23-2)17-14(19)9-12(15(20)21)16-6-3-7-18/h4-5,8,12,16,18H,3,6-7,9H2,1-2H3,(H,17,19)(H,20,21)/t12-/m0/s1