Molecule ID: mol32104
SMILES: C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1
InChI: InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,40-34(45)46-32-24-12-21-11-22(14-24)15-25(32)13-21)33(44)37-18-29(23-7-3-2-4-8-23)39-30(43)20-47-31-19-38-42-41-31/h2-10,17,19,21-22,24-25,29,32,36H,11-16,18,20H2,1H3,(H,37,44)(H,39,43)(H,40,45)(H,38,41,42)/t21?,22?,24?,25?,29-,32?,35+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |