[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-14(18(26)24-20(13-22)10-3-2-4-11-20)28-17(25)9-12-23-19(27)15-5-7-16(21)8-6-15/h5-8,14H,2-4,9-12H2,1H3,(H,23,27)(H,24,26)/t14-/m1/s1