tert-butyl N-[6-(2-cyanoethylamino)hexyl]-N-[12-[6-(2-cyanoethylamino)hexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]dodecyl]carbamate

Systemtic Name: tert-butyl N-[6-(2-cyanoethylamino)hexyl]-N-[12-[6-(2-cyanoethylamino)hexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]dodecyl]carbamate Openeye Name: tert-butyl N-[12-[tert-butoxycarbonyl-[6-(2-cyanoethylamino)hexyl]amino]dodecyl]-N-[6-(2-cyanoethylamino)hexyl]carbamate CAS Name: N-[6-(2-cyanoethylamino)hexyl]-N-[12-[6-(2-cyanoethylamino)hexyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(2-cyanoethylamino)hexyl]-N-[12-[6-(2-cyanoethylamino)hexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]dodecyl]carbamate Traditional Name: N-[12-[tert-butoxycarbonyl-[6-(2-cyanoethylamino)hexyl]amino]dodecyl]-N-[6-(2-cyanoethylamino)hexyl]carbamic acid tert-butyl ester Formula: C40H76N6O4 MolecularWeight: 705.06924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCCCCCCCN(CCCCCCNCCC#N)C(=O)OC(C)(C)C)CCCCCCNCCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCCCCCCCN(CCCCCCNCCC#N)C(=O)OC(C)(C)C)CCCCCCNCCC#N

InChI

InChI=1S/C40H76N6O4/c1-39(2,3)49-37(47)45(35-23-17-13-19-29-43-31-25-27-41)33-21-15-11-9-7-8-10-12-16-22-34-46(38(48)50-40(4,5)6)36-24-18-14-20-30-44-32-26-28-42/h43-44H,7-26,29-36H2,1-6H3