Molecule ID: mol37803
SMILES: COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)OC)C(C)(C)S1
InChI: InChI=1S/C18H24N2O5S/c1-18(2)14(17(23)25-4)20-15(26-18)13(16(22)24-3)19-12(21)10-11-8-6-5-7-9-11/h5-9,13-15,20H,10H2,1-4H3,(H,19,21)/t13-,14-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.18 | QSARToolbox | 2 » 1 |