(2R)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: (2R)-2-(2-furylmethylammonio)-4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: (2R)-2-(2-furanylmethylammonio)-4-oxo-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-oxo-4-(2,4,6-trimethylanilino)butanoate Traditional Name: (2R)-2-(2-furfurylammonio)-4-keto-4-mesidino-butyrate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2)C

InChI

InChI=1S/C18H22N2O4/c1-11-7-12(2)17(13(3)8-11)20-16(21)9-15(18(22)23)19-10-14-5-4-6-24-14/h4-8,15,19H,9-10H2,1-3H3,(H,20,21)(H,22,23)/t15-/m1/s1