(3-methyl-1,2-oxazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (3-methylisoxazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (3-methylisoxazol-5-yl)methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC(=NO2)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=NO2)C

InChI

InChI=1S/C18H22N2O4/c1-11(2)16(18(22)23-10-14-9-13(4)20-24-14)19-17(21)15-8-6-5-7-12(15)3/h5-9,11,16H,10H2,1-4H3,(H,19,21)/t16-/m0/s1