Molecule ID: mol37399
SMILES: CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(c1ncc[nH]1)c1ncc[nH]1
InChI: InChI=1S/C22H32N8O4/c1-13(2)11-15(28-22(34)16-5-4-10-30(16)14(3)31)21(33)27-12-17(32)29-18(19-23-6-7-24-19)20-25-8-9-26-20/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3,(H,23,24)(H,25,26)(H,27,33)(H,28,34)(H,29,32)/t15-,16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | QSARToolbox | 2 » 1 |