Molecule ID: mol32712
SMILES: CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C(C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCCCC[N+](C)(C)C
InChI: InChI=1S/C50H96N6O3/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-55(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2)50(59)45(3)53-49(58)47(42-46-43-51-44-52-46)54-48(57)38-34-33-37-41-56(4,5)6/h43-45,47H,7-42H2,1-6H3,(H2-,51,52,53,54,57,58)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 2 » 1 |