(2S,3S)-3-methyl-2-[(4-methylphenyl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(4-methylphenyl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(4-methylbenzoyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(4-methylbenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-(p-toluoylamino)valerate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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