Molecule ID: mol18102
SMILES: CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1O
InChI: InChI=1S/C19H23N3O4/c1-12(2)11-21-18(25)14(10-13-6-4-3-5-7-13)22-19(26)16-17(24)15(23)8-9-20-16/h3-9,12,14,24H,10-11H2,1-2H3,(H,20,23)(H,21,25)(H,22,26)/t14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | Baltruschat ChEMBL | 0 » -1 |