(2R)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-hydroxyanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-hydroxyanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-hydroxyanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-hydroxyanilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c20-13-5-3-12(4-6-13)19-15(21)8-14(16(22)23)18-10-11-2-1-7-17-9-11/h1-7,9,14,18,20H,8,10H2,(H,19,21)(H,22,23)/t14-/m1/s1