Molecule ID: mol32252
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)O)cc32)c1C
InChI: InChI=1S/C27H25N3O6/c1-14-21(13-19-18-12-17(26(33)34)9-10-20(18)29-24(19)31)28-15(2)23(14)25(32)30-22(27(35)36-3)11-16-7-5-4-6-8-16/h4-10,12-13,22,28H,11H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/b19-13-/t22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | OCHEM | 0 » -1 |