tert-butyl N-[2-[3-[3-(dioctadecylamino)-3-oxidanylidene-propyl]sulfanylpropanoylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-[3-(dioctadecylamino)-3-oxidanylidene-propyl]sulfanylpropanoylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-[3-(dioctadecylamino)-3-oxo-propyl]sulfanylpropanoylamino]ethyl]carbamate CAS Name: N-[2-[[3-[[3-(dioctadecylamino)-3-oxopropyl]thio]-1-oxopropyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[3-(dioctadecylamino)-3-oxopropyl]sulfanylpropanoylamino]ethyl]carbamate Traditional Name: N-[2-[3-[[3-(distearylamino)-3-keto-propyl]thio]propanoylamino]ethyl]carbamic acid tert-butyl ester Formula: C49H97N3O4S MolecularWeight: 824.37718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCSCCC(=O)NCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCSCCC(=O)NCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C49H97N3O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42-52(43-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47(54)39-45-57-44-38-46(53)50-40-41-51-48(55)56-49(3,4)5/h6-45H2,1-5H3,(H,50,53)(H,51,55)