Molecule ID: mol37409
SMILES: NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI: InChI=1S/C19H30N6O7/c20-9-15(27)24-7-1-3-12(24)17(29)22-10-16(28)25-8-2-4-13(25)18(30)23-11(19(31)32)5-6-14(21)26/h11-13H,1-10,20H2,(H2,21,26)(H,22,29)(H,23,30)(H,31,32)/t11-,12-,13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.51 | QSARToolbox | -2 » -3 |