Molecule ID: mol37411
SMILES: NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C19H29N5O8/c20-9-14(25)23-7-1-3-12(23)17(29)21-10-15(26)24-8-2-4-13(24)18(30)22-11(19(31)32)5-6-16(27)28/h11-13H,1-10,20H2,(H,21,29)(H,22,30)(H,27,28)(H,31,32)/t11-,12-,13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.93 | QSARToolbox | -3 » -4 |