Molecule ID: mol35020
SMILES: CC(C)(C)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC(C)(C)C)CC(=O)O)CC(=O)O
InChI: InChI=1S/C22H41N5O8/c1-21(2,3)23-16(28)11-26(14-19(32)33)9-7-25(13-18(30)31)8-10-27(15-20(34)35)12-17(29)24-22(4,5)6/h7-15H2,1-6H3,(H,23,28)(H,24,29)(H,30,31)(H,32,33)(H,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | QSARToolbox | 1 » 0 |