(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (3S)-4-anilino-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-anilino-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-anilino-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-anilino-3-(2-furfurylammonio)-4-keto-butyrate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c18-14(19)9-13(16-10-12-7-4-8-21-12)15(20)17-11-5-2-1-3-6-11/h1-8,13,16H,9-10H2,(H,17,20)(H,18,19)/t13-/m0/s1