(2R)-4-[(4-acetamidophenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C17H19N3O5/c1-11(21)19-12-4-6-13(7-5-12)20-16(22)9-15(17(23)24)18-10-14-3-2-8-25-14/h2-8,15,18H,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t15-/m1/s1