[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C23H28N2O4/c1-15(2)21(25-22(27)19-7-5-6-17(4)12-19)23(28)29-14-20(26)24-13-18-10-8-16(3)9-11-18/h5-12,15,21H,13-14H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1