Molecule ID: mol37274
SMILES: C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CN)C(=O)O
InChI: InChI=1S/C11H19N5O6/c1-5(11(21)22)15-10(20)6(2-7(13)17)16-9(19)4-14-8(18)3-12/h5-6H,2-4,12H2,1H3,(H2,13,17)(H,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.33 | QSARToolbox | 1 » 0 |