Molecule ID: mol32141
SMILES: CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CNC(=O)c3cc(O)c(O)c(Cl)c3)CSC12)c1csc(N)n1)C(=O)O
InChI: InChI=1S/C24H23ClN6O10S2/c1-24(2,22(39)40)41-30-13(11-7-43-23(26)28-11)18(35)29-14-19(36)31-15(21(37)38)9(6-42-20(14)31)5-27-17(34)8-3-10(25)16(33)12(32)4-8/h3-4,7,14,20,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,29,35)(H,37,38)(H,39,40)/b30-13-/t14-,20?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | OCHEM | -2 » -3 |