Molecule ID: mol37721
SMILES: CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)O
InChI: InChI=1S/C13H25N3O4S2/c1-8(15-12(18)9(14)4-6-21-2)11(17)16-10(13(19)20)5-7-22-3/h8-10H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | QSARToolbox | 1 » 0 |