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

Systemtic Name: (3S)-4-[(3-ethanoylphenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(3-acetylanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-(3-acetylanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-(3-acetylanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(3-acetylanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-11(20)12-4-2-5-13(8-12)19-17(23)15(9-16(21)22)18-10-14-6-3-7-24-14/h2-8,15,18H,9-10H2,1H3,(H,19,23)(H,21,22)/t15-/m0/s1