(2R)-4-[(2-methylphenyl)amino]-4-oxidanylidene-2-[[(2S)-2-oxidanylpropyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-[(2-methylphenyl)amino]-4-oxidanylidene-2-[[(2S)-2-oxidanylpropyl]azaniumyl]butanoate Openeye Name: (2R)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-(2-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-(2-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxypropyl]azaniumyl]-4-(2-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-keto-4-(o-toluidino)butyrate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC(C)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H](C)O

InChI

InChI=1S/C14H20N2O4/c1-9-5-3-4-6-11(9)16-13(18)7-12(14(19)20)15-8-10(2)17/h3-6,10,12,15,17H,7-8H2,1-2H3,(H,16,18)(H,19,20)/t10-,12+/m0/s1