Molecule ID: mol17212
SMILES: CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
InChI: InChI=1S/C22H36N2O5/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-28-22(29-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | Baltruschat ChEMBL | 1 » 0 |