[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C22H29N3O4/c1-15(2)19(24-20(27)17-10-6-5-9-16(17)3)21(28)29-13-18(26)25-22(14-23)11-7-4-8-12-22/h5-6,9-10,15,19H,4,7-8,11-13H2,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1