Molecule ID: mol37839
SMILES: CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CNS(=O)(=O)c3ccc(O)c(O)c3)CS[C@H]12)c1csc(N)n1)C(=O)O
InChI: InChI=1S/C23H24N6O11S3/c1-23(2,21(36)37)40-28-14(11-8-42-22(24)26-11)17(32)27-15-18(33)29-16(20(34)35)9(7-41-19(15)29)6-25-43(38,39)10-3-4-12(30)13(31)5-10/h3-5,8,15,19,25,30-31H,6-7H2,1-2H3,(H2,24,26)(H,27,32)(H,34,35)(H,36,37)/b28-14-/t15-,19-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | -2 » -3 |