Molecule ID: mol37730
SMILES: N[C@@H](CSSC[C@H](N)C(=O)NCC(=O)NCC(=O)O)C(=O)NCC(=O)NCC(=O)O
InChI: InChI=1S/C14H24N6O8S2/c15-7(13(27)19-1-9(21)17-3-11(23)24)5-29-30-6-8(16)14(28)20-2-10(22)18-4-12(25)26/h7-8H,1-6,15-16H2,(H,17,21)(H,18,22)(H,19,27)(H,20,28)(H,23,24)(H,25,26)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | QSARToolbox | 1 » 0 |