(2R)-4-oxidanylidene-4-phenylazanyl-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-phenylazanyl-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-anilino-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-anilino-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-anilino-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-anilino-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C16H17N3O3/c20-15(19-13-6-2-1-3-7-13)9-14(16(21)22)18-11-12-5-4-8-17-10-12/h1-8,10,14,18H,9,11H2,(H,19,20)(H,21,22)/t14-/m1/s1