O3-[16-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-16-oxidanylidene-hexadecyl] O1-methyl propanedioate

Systemtic Name: O3-[16-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-16-oxidanylidene-hexadecyl] O1-methyl propanedioate Openeye Name: O3-[16-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-16-oxo-hexadecyl] O1-methyl propanedioate CAS Name: propanedioic acid O3-[16-[2-[2-[2-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethoxy]ethoxy]ethylamino]-16-oxohexadecyl] ester O1-methyl ester IUPAC Name: 3-O-[16-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-16-oxohexadecyl] 1-O-methyl propanedioate Traditional Name: malonic acid O3-[16-[2-[2-[2-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-16-keto-hexadecyl] ester O1-methyl ester Formula: C36H64N4O9S MolecularWeight: 728.97976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)OCCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2

Isomeric SMILES

COC(=O)CC(=O)OCCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

InChI

InChI=1S/C36H64N4O9S/c1-46-33(43)27-34(44)49-22-16-12-10-8-6-4-2-3-5-7-9-11-13-18-31(41)37-20-23-47-25-26-48-24-21-38-32(42)19-15-14-17-30-35-29(28-50-30)39-36(45)40-35/h29-30,35H,2-28H2,1H3,(H,37,41)(H,38,42)(H2,39,40,45)/t29-,30-,35-/m0/s1