Molecule ID: mol32254
SMILES: COC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2
InChI: InChI=1S/C27H25N3O6/c1-14-21(13-19-18-12-17(27(35)36-3)9-10-20(18)29-24(19)31)28-15(2)23(14)25(32)30-22(26(33)34)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 |
|---|---|---|
| 3.00 | OCHEM | 0 » -1 |