产品名称：
Etomoxiryl-CoA
其他名称： 乙氧酰辅酶A;Etomoxir-coa；etomoxiryl-coenzyme A
CAS：124122-91-4
其他名称： 乙氧酰辅酶A;Etomoxir-coa；etomoxiryl-coenzyme A
CAS：124122-91-4
结构信息
| 分子式 | C36H53CLN7O19P3S | 分子量 | 1048.28 | ||
| IUPAC Name | S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethioate | ||||
| InChIKey | AAHIMGZVACZGCQ-NKXYKTLRSA-N | ||||
| InChI | InChI=1S/C34H48Cl2N7O18P3S/c1-32(2,26(46)29(47)39-10-9-22(44)38-11-12-65-31(48)33(3,4)59-19-7-5-18(6-8-19)20-13-34(20,35)36)15-57-64(54,55)61-63(52,53)56-14-21-25(60-62(49,50)51)24(45)30(58-21)43-17-42-23-27(37)40-16-41-28(23)43/h5-8,16-17,20-21,24-26,30,45-46H,9-15H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t20?,21-,24-,25-,26?,30-/m1/s1 | ||||
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)OC4=CC=C(C=C4)C5CC5(Cl)Cl)O | ||||
