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

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-(2-methoxycarbonylanilino)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-(2-methoxycarbonylanilino)-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(2-methoxycarbonylanilino)-4-oxobutanoate Traditional Name: (3S)-4-(2-carbomethoxyanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C17H18N2O6/c1-24-17(23)12-6-2-3-7-13(12)19-16(22)14(9-15(20)21)18-10-11-5-4-8-25-11/h2-8,14,18H,9-10H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1