Molecule ID: mol5420
SMILES: CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)O
InChI: InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |