Molecule ID: mol2854
SMILES: COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(O)c1
InChI: InChI=1S/C38H43N3O8/c1-24(2)36(38(45)39-23-27-15-16-29(46-3)22-32(27)42)41-37(44)31(19-26-14-17-33(47-4)34(20-26)48-5)40-35(43)21-25-10-9-13-30(18-25)49-28-11-7-6-8-12-28/h6-18,20,22,24,31,36,42H,19,21,23H2,1-5H3,(H,39,45)(H,40,43)(H,41,44)/t31-,36-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.91 | Novartis | -2 » -3 |