tert-butyl N-[(2S)-1-(dioctadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(dioctadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(5S)-5-(tert-butoxycarbonylamino)-6-(dioctadecylamino)-6-oxo-hexyl]carbamate CAS Name: N-[(2S)-1-(dioctadecylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(dioctadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(5S)-5-(tert-butoxycarbonylamino)-6-(distearylamino)-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C52H103N3O5 MolecularWeight: 850.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H103N3O5/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-55(46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)48(56)47(54-50(58)60-52(6,7)8)43-39-40-44-53-49(57)59-51(3,4)5/h47H,9-46H2,1-8H3,(H,53,57)(H,54,58)/t47-/m0/s1