| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM162081 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C36H35ClN6O8S3 |
| charge | 0 |
| mass | 810.1367 |
| reference | keggD:D09690 |
| InChIKey | QSUPQMGDXOHVLK-FFXKMJQXSA-N |
| InChI | InChI=1S/C22H19ClN6O2S.2C7H8O3S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28);2*2-5H,1H3,(H,8,9,10)/t13-;;/m1../s1 |
| SMILES | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1 |
|
