[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate Openeye Name: [(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl] ester Formula: C16H25N3O4 MolecularWeight: 323.3874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)OC(=O)N2CCOCC2

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2

InChI

InChI=1S/C16H25N3O4/c17-6-7-18-15(20)14(12-13-4-2-1-3-5-13)23-16(21)19-8-10-22-11-9-19/h13-14H,1-5,7-12H2,(H,18,20)/t14-/m0/s1