Molecule ID: mol32109
SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1
InChI: InChI=1S/C40H47N5O6S/c1-40(23-31-24-41-34-15-9-8-14-33(31)34,45-39(48)51-37-29-19-26-18-27(21-29)22-30(37)20-26)38(47)42-25-35(28-10-4-2-5-11-28)44-36(46)16-17-43-52(49,50)32-12-6-3-7-13-32/h2-15,24,26-27,29-30,35,37,41,43H,16-23,25H2,1H3,(H,42,47)(H,44,46)(H,45,48)/t26?,27?,29?,30?,35-,37?,40-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | OCHEM | 0 » -1 |