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

Systemtic Name: (2R)-4-oxidanylidene-4-[(phenylmethyl)amino]-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(benzylamino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-oxo-4-[(phenylmethyl)amino]-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(benzylamino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(benzylamino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c21-16(20-11-13-5-2-1-3-6-13)9-15(17(22)23)19-12-14-7-4-8-18-10-14/h1-8,10,15,19H,9,11-12H2,(H,20,21)(H,22,23)/t15-/m1/s1