Molecule ID: mol16329
SMILES: CCN(C(=O)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1
InChI: InChI=1S/C32H43N3O3/c1-3-34(31(36)20-23-12-16-29(38-2)17-13-23)28-21-26-14-15-27(22-28)35(26)19-18-30(24-8-5-4-6-9-24)33-32(37)25-10-7-11-25/h4-6,8-9,12-13,16-17,25-28,30H,3,7,10-11,14-15,18-22H2,1-2H3,(H,33,37)/t26-,27+,28+,30-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | Baltruschat ChEMBL | 1 » 0 |