Molecule ID: mol32106
SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nc[nH]n1)c1ccccc1
InChI: InChI=1S/C36H43N7O4S/c1-36(18-27-19-37-29-10-6-5-9-28(27)29,42-35(46)47-32-25-14-22-13-23(16-25)17-26(32)15-22)33(45)38-20-30(24-7-3-2-4-8-24)41-31(44)11-12-48-34-39-21-40-43-34/h2-10,19,21-23,25-26,30,32,37H,11-18,20H2,1H3,(H,38,45)(H,41,44)(H,42,46)(H,39,40,43)/t22?,23?,25?,26?,30-,32?,36-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | OCHEM | 0 » -1 |