(2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-methyl-2-oxidanyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(2-hydroxy-5-methyl-anilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(2-hydroxy-5-methylanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(2-hydroxy-5-methyl-anilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C17H19N3O4/c1-11-4-5-15(21)13(7-11)20-16(22)8-14(17(23)24)19-10-12-3-2-6-18-9-12/h2-7,9,14,19,21H,8,10H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1