Molecule ID: mol34470
SMILES: CC(C)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC(C)C)CC(=O)O)CC(=O)O
InChI: InChI=1S/C20H37N5O8/c1-14(2)21-16(26)9-24(12-19(30)31)7-5-23(11-18(28)29)6-8-25(13-20(32)33)10-17(27)22-15(3)4/h14-15H,5-13H2,1-4H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | QSARToolbox | 1 » 0 |