Molecule ID: mol17605
SMILES: COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC
InChI: InChI=1S/C32H57N3O5/c1-23(2)27(20-25-10-11-31(39-6)26(19-25)9-7-8-16-38-5)21-29(33)30(36)22-28(24(3)4)32(37)34-12-13-35-14-17-40-18-15-35/h10-11,19,23-24,27-30,36H,7-9,12-18,20-22,33H2,1-6H3,(H,34,37)/t27-,28-,29-,30-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.01 | Baltruschat ChEMBL | 2 » 1 |