Molecule ID: mol37719
SMILES: CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)O
InChI: InChI=1S/C17H32N4O5S3/c1-27-7-4-11(18)15(23)19-10-14(22)20-12(5-8-28-2)16(24)21-13(17(25)26)6-9-29-3/h11-13H,4-10,18H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26)/t11-,12-,13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | QSARToolbox | 1 » 0 |