[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-14(2)19(24-22(27)23-18-8-6-5-7-9-18)21(26)28-16(4)20(25)17-12-10-15(3)11-13-17/h5-14,16,19H,1-4H3,(H2,23,24,27)/t16-,19-/m0/s1