(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (3-methyl-1,2,4-oxadiazol-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-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-10(2)15(17(22)23-9-14-18-12(4)20-24-14)19-16(21)13-8-6-5-7-11(13)3/h5-8,10,15H,9H2,1-4H3,(H,19,21)/t15-/m0/s1