(3S)-4-oxidanylidene-4-phenylazanyl-3-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (3S)-4-oxidanylidene-4-phenylazanyl-3-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (3S)-4-anilino-4-oxo-3-(3-pyridylmethylammonio)butanoate CAS Name: (3S)-4-anilino-4-oxo-3-(3-pyridinylmethylammonio)butanoate IUPAC Name: (3S)-4-anilino-4-oxo-3-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (3S)-4-anilino-4-keto-3-(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)C(CC(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c20-15(21)9-14(18-11-12-5-4-8-17-10-12)16(22)19-13-6-2-1-3-7-13/h1-8,10,14,18H,9,11H2,(H,19,22)(H,20,21)/t14-/m0/s1