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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-15(2)18(25-21(29)24-17-10-6-4-7-11-17)20(28)30-16(3)19(27)26-22(14-23)12-8-5-9-13-22/h4,6-7,10-11,15-16,18H,5,8-9,12-13H2,1-3H3,(H,26,27)(H2,24,25,29)/t16-,18-/m1/s1