Product Name：
Nafenopin-CoA
Other Names： nafenopin-coenzyme A；Nafenopin-coa
CAS：112195-81-0
Other Names： nafenopin-coenzyme A；Nafenopin-coa
CAS：112195-81-0
Structural Information
| Molecular Formula | C41H56N7O18P3S | Molecular Weight | 1059.91 | ||
| IUPAC Name | S-[2-[3-[[(2R)-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-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanethioate | ||||
| InChIKey | MUIWZLHYOXABMT-WFSMWQGZSA-N | ||||
| InChI | InChI=1S/C41H56N7O18P3S/c1-40(2,21-62-69(59,60)66-68(57,58)61-20-29-33(65-67(54,55)56)32(50)38(63-29)48-23-47-31-35(42)45-22-46-36(31)48)34(51)37(52)44-17-16-30(49)43-18-19-70-39(53)41(3,4)64-26-14-12-25(13-15-26)28-11-7-9-24-8-5-6-10-27(24)28/h5-6,8,10,12-15,22-23,28-29,32-34,38,50-51H,7,9,11,16-21H2,1-4H3,(H,43,49)(H,44,52)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t28?,29-,32-,33-,34+,38-/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)C5CCCC6=CC=CC=C56)O | ||||
