Molecule ID: mol15604
SMILES: COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1SC(C)(C)[C@H]2C(=O)NC(=S)N12
InChI: InChI=1S/C18H21N3O4S2/c1-18(2)13-14(23)20-17(26)21(13)15(27-18)12(16(24)25-3)19-11(22)9-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,19,22)(H,20,23,26)/t12-,13-,15+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Datawarrior | 0 » -1 |