Molecule ID: mol15678
SMILES: C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChI: InChI=1S/C13H20N4O6/c1-6(13(22)23)15-11(20)8(2-4-9(14)18)17-12(21)7-3-5-10(19)16-7/h6-8H,2-5H2,1H3,(H2,14,18)(H,15,20)(H,16,19)(H,17,21)(H,22,23)/t6-,7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.67 | Datawarrior | 0 » -1 |