Molecule ID: mol20112
SMILES: Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
InChI: InChI=1S/C30H39N3O6S/c1-19-11-24(34)12-20(2)25(19)17-31-29(37)14-21-7-6-8-22(13-21)16-30(3,4)32-18-28(36)23-9-10-27(35)26(15-23)33-40(5,38)39/h6-13,15,28,32-36H,14,16-18H2,1-5H3,(H,31,37)/t28-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.93 | Baltruschat ChEMBL | -1 » -2 |