Synonyms: Rac-Etomoxir-Coa | CHEMBL2216792|Rac-Etomoxir-Coa|BDBM50403029
Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)cnnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1
Standard InChI: InChI=1S/C36H53ClN7O19P3S/c1-35(2,30(47)32(48)40-13-11-26(45)39-14-16-67-34(49)36(20-58-36)12-5-3-4-6-15-57-23-9-7-22(37)8-10-23)19-60-66(55,56)63-65(53,54)59-18-25-29(62-64(50,51)52)28(46)33(61-25)44-21-41-27-24(38)17-42-43-31(27)44/h7-10,17,21,25,28-30,33,46-47H,3-6,11-16,18-20H2,1-2H3,(H2,38,43)(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,50,51,52)/t25-,28-,29-,30+,33-,36-/m1/s1
Standard InChI Key: QDAQPYPQMRYPHZ-LPXPRPMKSA-N