(2S,3S)-3-methyl-2-[(3-methylphenyl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(3-methylphenyl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(3-methylbenzoyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(3-methylbenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-(m-toluoylamino)valerate Formula: C14H18NO3- MolecularWeight: 248.29762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C14H19NO3/c1-4-10(3)12(14(17)18)15-13(16)11-7-5-6-9(2)8-11/h5-8,10,12H,4H2,1-3H3,(H,15,16)(H,17,18)/p-1/t10-,12-/m0/s1