Molecule ID: mol29490
SMILES: CC(=O)NC(CS)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(=O)C[C@H](N)C(=O)O
InChI: InChI=1S/C15H22N6O6S/c1-7(22)19-11(5-28)14(25)20-10(2-8-4-17-6-18-8)13(24)21-12(23)3-9(16)15(26)27/h4,6,9-11,28H,2-3,5,16H2,1H3,(H,17,18)(H,19,22)(H,20,25)(H,26,27)(H,21,23,24)/t9-,10?,11?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | AttenGpKa training set | 0 » -1 |