Molecule ID: mol19820
SMILES: CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChI: InChI=1S/C24H23ClFN5O5S/c1-2-37(35,36)30-13-17(18(14-30)24(34)29-21-9-6-15(25)12-27-21)23(33)28-20-8-7-16(11-19(20)26)31-10-4-3-5-22(31)32/h3-12,17-18H,2,13-14H2,1H3,(H,28,33)(H,27,29,34)/t17-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.99 | Baltruschat ChEMBL | 1 » 0 |