(2S)-3-methyl-2-[(2-methylphenyl)carbamoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(2-methylphenyl)carbamoylamino]butanoate Openeye Name: (2S)-3-methyl-2-(o-tolylcarbamoylamino)butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylanilino)-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-methylphenyl)carbamoylamino]butanoate Traditional Name: (2S)-3-methyl-2-(o-tolylcarbamoylamino)butyrate Formula: C13H17N2O3- MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-8(2)11(12(16)17)15-13(18)14-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m0/s1