Molecule ID: mol20898
SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N(C)CCN(C)C)cc(=O)oc3c2C)OC1(C)C
InChI: InChI=1S/C29H39N3O8/c1-16-9-11-19(30-16)27(35)39-25-23(34)28(40-29(3,4)26(25)36-8)37-21-12-10-18-20(32(7)14-13-31(5)6)15-22(33)38-24(18)17(21)2/h9-12,15,23,25-26,28,30,34H,13-14H2,1-8H3/t23-,25+,26-,28-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | Baltruschat ChEMBL | 1 » 0 |