Molecule ID: mol32105
SMILES: CONC(=O)CCC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
InChI: InChI=1S/C36H45N5O6/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,40-35(45)47-33-25-15-22-14-23(17-25)18-26(33)16-22)34(44)38-21-30(24-8-4-3-5-9-24)39-31(42)12-13-32(43)41-46-2/h3-11,20,22-23,25-26,30,33,37H,12-19,21H2,1-2H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t22?,23?,25?,26?,30-,33?,36-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | OCHEM | 0 » -1 |