[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O4/c1-15(2)18(24-20(28)23-16-9-5-3-6-10-16)19(27)29-13-17(26)25-21(14-22)11-7-4-8-12-21/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3,(H,25,26)(H2,23,24,28)/t18-/m1/s1