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

Systemtic Name: tert-butyl N-[(2R)-1-(dioctadecylamino)-1-oxidanylidene-3-(pentyldisulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(dioctadecylamino)-2-oxo-1-[(pentyldisulfanyl)methyl]ethyl]carbamate CAS Name: N-[(2R)-1-(dioctadecylamino)-1-oxo-3-(pentyldisulfanyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(dioctadecylamino)-1-oxo-3-(pentyldisulfanyl)propan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(amyldisulfanyl)methyl]-2-(distearylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C49H98N2O3S2 MolecularWeight: 827.44402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H98N2O3S2/c1-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-51(43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-2)47(52)46(45-56-55-44-41-12-9-3)50-48(53)54-49(4,5)6/h46H,7-45H2,1-6H3,(H,50,53)/t46-/m0/s1