tert-butyl N-[(2R)-1-(dioctadecylamino)-3-(dodecyldisulfanyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-(dioctadecylamino)-3-(dodecyldisulfanyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(dioctadecylamino)-1-[(dodecyldisulfanyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(dioctadecylamino)-3-(dodecyldisulfanyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(dioctadecylamino)-3-(dodecyldisulfanyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(distearylamino)-2-keto-1-[(lauryldisulfanyl)methyl]ethyl]carbamic acid tert-butyl ester Formula: C56H112N2O3S2 MolecularWeight: 925.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CSSCCCCCCCCCCCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[C@H](CSSCCCCCCCCCCCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C56H112N2O3S2/c1-7-10-13-16-19-22-25-27-29-31-33-35-37-40-43-46-49-58(50-47-44-41-38-36-34-32-30-28-26-23-20-17-14-11-8-2)54(59)53(57-55(60)61-56(4,5)6)52-63-62-51-48-45-42-39-24-21-18-15-12-9-3/h53H,7-52H2,1-6H3,(H,57,60)/t53-/m0/s1