[3-[2-[6-[4-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]hexanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; N,N-diethylethanamine

Systemtic Name: [3-[2-[6-[4-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]hexanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; N,N-diethylethanamine Openeye Name: [3-[2-[6-[4-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]hexanoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; hexadecanoic acid [3-[2-[[6-[4-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-1-oxohexyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-[6-[4-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]hexanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate; N,N-diethylethanamine Traditional Name: palmitic acid [3-[2-[6-[4-[(3aS,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]butylamino]hexanoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester; triethylamine Formula: C58H114N5O10PS MolecularWeight: 1104.592021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCCNCCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCCCCCCCCC.CCN(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCCNCCCCC1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)CCCCCCCCCCCCCCC.CCN(CC)CC

InChI

InChI=1S/C52H99N4O10PS.C6H15N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-36-49(58)63-42-45(66-50(59)37-30-26-24-22-20-18-16-14-12-10-8-6-4-2)43-65-67(61,62)64-41-40-54-48(57)35-28-27-32-38-53-39-33-31-34-47-51-46(44-68-47)55-52(60)56-51;1-4-7(5-2)6-3/h45-47,51,53H,3-44H2,1-2H3,(H,54,57)(H,61,62)(H2,55,56,60);4-6H2,1-3H3/t45?,46-,47?,51-;/m0./s1