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

Systemtic Name: (2S)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2S)-4-anilino-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2S)-4-anilino-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-anilino-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-anilino-2-(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)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

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

InChI

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