Molecule ID: mol20892
SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CCNCC4)cc(=O)oc3c2C)OC1(C)C
InChI: InChI=1S/C28H35N3O8/c1-15-6-8-18(30-15)26(34)38-24-22(33)27(39-28(3,4)25(24)35-5)36-20-9-7-17-19(31-12-10-29-11-13-31)14-21(32)37-23(17)16(20)2/h6-9,14,22,24-25,27,29-30,33H,10-13H2,1-5H3/t22-,24+,25-,27-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Baltruschat ChEMBL | 1 » 0 |