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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC(=NO2)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=NC(=NO2)C(C)C

InChI

InChI=1S/C19H25N3O4/c1-11(2)16(21-18(23)14-8-6-7-13(5)9-14)19(24)25-10-15-20-17(12(3)4)22-26-15/h6-9,11-12,16H,10H2,1-5H3,(H,21,23)/t16-/m0/s1