Molecule ID: mol18807
SMILES: CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C15H25N3O6S2/c1-11(2)10-14(16)15(19)18-8-3-9-25(20,21)24-12-4-6-13(7-5-12)26(17,22)23/h4-7,11,14H,3,8-10,16H2,1-2H3,(H,18,19)(H2,17,22,23)/t14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Baltruschat ChEMBL | 1 » 0 |