(phenylmethyl) N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-1-(prop-2-enylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-1-(prop-2-enylamino)hexan-2-yl]carbamate Openeye Name: tert-butyl N-[6-(allylamino)-5-(benzyloxycarbonylamino)-6-oxo-hexyl]carbamate CAS Name: N-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-1-(prop-2-enylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(prop-2-enylamino)hexan-2-yl]carbamate Traditional Name: N-[6-(allylamino)-5-(benzyloxycarbonylamino)-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NCC=C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)NCC=C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33N3O5/c1-5-14-23-19(26)18(13-9-10-15-24-20(27)30-22(2,3)4)25-21(28)29-16-17-11-7-6-8-12-17/h5-8,11-12,18H,1,9-10,13-16H2,2-4H3,(H,23,26)(H,24,27)(H,25,28)