Molecule ID: mol37712
SMILES: N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChI: InChI=1S/C20H34N8O6/c21-12(4-1-7-24-20(22)23)19(34)28-9-3-6-14(28)18(33)25-10-15(29)27-8-2-5-13(27)17(32)26-11-16(30)31/h12-14H,1-11,21H2,(H,25,33)(H,26,32)(H,30,31)(H4,22,23,24)/t12-,13-,14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.86 | QSARToolbox | 0 » -1 |