2-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl 2,3-diacetyloxypropyl phosphate; N,N-diethylethanamine

Systemtic Name: 2-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl 2,3-diacetyloxypropyl phosphate; N,N-diethylethanamine Openeye Name: 2-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl 2,3-diacetoxypropyl phosphate; N,N-diethylethanamine CAS Name: 2-[[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl 2,3-diacetyloxypropyl phosphate; N,N-diethylethanamine IUPAC Name: 2-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl 2,3-diacetyloxypropyl phosphate; N,N-diethylethanamine Traditional Name: 2-[5-[(3aS,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]ethyl 2,3-diacetoxypropyl phosphate; triethylamine Formula: C25H46N4O10PS- MolecularWeight: 625.692301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)C

Isomeric SMILES

CCN(CC)CC.CC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCC1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)C

InChI

InChI=1S/C19H32N3O10PS.C6H15N/c1-12(23)29-9-14(32-13(2)24)10-31-33(27,28)30-8-7-20-17(25)6-4-3-5-16-18-15(11-34-16)21-19(26)22-18;1-4-7(5-2)6-3/h14-16,18H,3-11H2,1-2H3,(H,20,25)(H,27,28)(H2,21,22,26);4-6H2,1-3H3/p-1/t14?,15-,16?,18-;/m0./s1