(2R)-2-(furan-2-ylmethylazaniumyl)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-furylmethylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-furanylmethylammonio)-4-(2-hydroxy-5-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(furan-2-ylmethylazaniumyl)-4-(2-hydroxy-5-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-furfurylammonio)-4-(2-hydroxy-5-methyl-anilino)-4-keto-butyrate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-10-4-5-14(19)12(7-10)18-15(20)8-13(16(21)22)17-9-11-3-2-6-23-11/h2-7,13,17,19H,8-9H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1