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

Systemtic Name: (2S)-3-methyl-2-[2-(2-methylphenyl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(o-tolyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(2-methylphenyl)acetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(o-tolyl)acetyl]amino]butyrate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-9(2)13(14(17)18)15-12(16)8-11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)/p-1/t13-/m0/s1