Molecule ID: mol8534
SMILES: NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O
InChI: InChI=1S/C7H13N3O4S/c8-1-5(11)10-4(3-15)7(14)9-2-6(12)13/h4,15H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 9.04 | IUPAC digitized pKa | -1 » -2 |