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

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-(3-hydroxyanilino)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-(3-hydroxyanilino)-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(3-hydroxyanilino)-4-oxobutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-(3-hydroxyanilino)-4-keto-butyrate Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5/c18-11-4-1-3-10(7-11)17-15(21)13(8-14(19)20)16-9-12-5-2-6-22-12/h1-7,13,16,18H,8-9H2,(H,17,21)(H,19,20)/t13-/m0/s1