Molecule ID: mol18099
SMILES: CC(C)CNC(=O)[C@H](C)NC(=O)c1nccc(O)c1O
InChI: InChI=1S/C13H19N3O4/c1-7(2)6-15-12(19)8(3)16-13(20)10-11(18)9(17)4-5-14-10/h4-5,7-8,18H,6H2,1-3H3,(H,14,17)(H,15,19)(H,16,20)/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | Baltruschat ChEMBL | 0 » -1 |