[N-[1-(cyanomethylamino)-5,5-dimethyl-1-oxidanylidene-hexan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamic acid

Systemtic Name: [N-[1-(cyanomethylamino)-5,5-dimethyl-1-oxidanylidene-hexan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamic acid Openeye Name: [N-[1-(cyanomethylcarbamoyl)-4,4-dimethyl-pentyl]-C-morpholino-carbonimidoyl]carbamic acid CAS Name: [[1-(cyanomethylamino)-5,5-dimethyl-1-oxohexan-2-yl]imino-(4-morpholinyl)methyl]carbamic acid IUPAC Name: [N-[1-(cyanomethylamino)-5,5-dimethyl-1-oxohexan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamic acid Traditional Name: [N-[1-(cyanomethylcarbamoyl)-4,4-dimethyl-pentyl]-C-morpholino-carbonimidoyl]carbamic acid Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC(C(=O)NCC#N)N=C(NC(=O)O)N1CCOCC1

Isomeric SMILES

CC(C)(C)CCC(C(=O)NCC#N)N=C(NC(=O)O)N1CCOCC1

InChI

InChI=1S/C16H27N5O4/c1-16(2,3)5-4-12(13(22)18-7-6-17)19-14(20-15(23)24)21-8-10-25-11-9-21/h12H,4-5,7-11H2,1-3H3,(H,18,22)(H,19,20)(H,23,24)