Molecule ID: mol36044
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChI: InChI=1S/C21H35N7O6/c1-5-11(4)17(28-19(31)16(23)10(2)3)20(32)26-13(6-12-8-24-9-25-12)18(30)27-14(21(33)34)7-15(22)29/h8-11,13-14,16-17H,5-7,23H2,1-4H3,(H2,22,29)(H,24,25)(H,26,32)(H,27,30)(H,28,31)(H,33,34)/t11-,13-,14-,16-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | QSARToolbox | 1 » 0 |