(2S)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]-4-(pyridin-3-ylamino)butanoate

Systemtic Name: (2S)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]-4-(pyridin-3-ylamino)butanoate Openeye Name: (2S)-2-(benzylammonio)-4-oxo-4-(3-pyridylamino)butanoate CAS Name: (2S)-4-oxo-2-[(phenylmethyl)ammonio]-4-(3-pyridinylamino)butanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-4-oxo-4-(pyridin-3-ylamino)butanoate Traditional Name: (2S)-2-(benzylammonio)-4-keto-4-(3-pyridylamino)butyrate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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