[2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4/c1-16(2)21(25-22(27)19-12-8-7-9-17(19)3)23(28)29-15-20(26)24-14-13-18-10-5-4-6-11-18/h4-12,16,21H,13-15H2,1-3H3,(H,24,26)(H,25,27)/t21-/m0/s1