[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-(p-toluoylamino)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C21H27N3O4/c1-14(2)18(23-19(26)16-8-6-15(3)7-9-16)20(27)28-12-17(25)24-21(13-22)10-4-5-11-21/h6-9,14,18H,4-5,10-12H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1