(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: (3S)-4-(benzylamino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-[(phenylmethyl)amino]butanoate IUPAC Name: (3S)-4-(benzylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(benzylamino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C16H18N2O4/c19-15(20)9-14(17-11-13-7-4-8-22-13)16(21)18-10-12-5-2-1-3-6-12/h1-8,14,17H,9-11H2,(H,18,21)(H,19,20)/t14-/m0/s1