(phenylmethyl) N-[6-(cyanomethylamino)-6-oxidanylidene-hexyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Systemtic Name: (phenylmethyl) N-[6-(cyanomethylamino)-6-oxidanylidene-hexyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Openeye Name: benzyl N-(tert-butoxycarbonylamino)-N-[6-(cyanomethylamino)-6-oxo-hexyl]carbamate CAS Name: N-[6-(cyanomethylamino)-6-oxohexyl]-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-(cyanomethylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Traditional Name: N-(tert-butoxycarbonylamino)-N-[6-(cyanomethylamino)-6-keto-hexyl]carbamic acid benzyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CCCCCC(=O)NCC#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NN(CCCCCC(=O)NCC#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-19(27)24-25(15-9-5-8-12-18(26)23-14-13-22)20(28)29-16-17-10-6-4-7-11-17/h4,6-7,10-11H,5,8-9,12,14-16H2,1-3H3,(H,23,26)(H,24,27)