Molecule ID: mol19238
SMILES: N=C(N)NCCCNOC(=O)CN(C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C1CCCC1
InChI: InChI=1S/C22H40N6O5/c23-22(24)25-11-6-12-27-33-20(31)15-28(17-9-4-5-10-17)21(32)18(26-14-19(29)30)13-16-7-2-1-3-8-16/h16-18,26-27H,1-15H2,(H,29,30)(H4,23,24,25)/t18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.50 | OCHEM | -1 » -2 |
| 12.50 | Baltruschat ChEMBL | -1 » -2 |