Molecule ID: mol37653
SMILES: C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChI: InChI=1S/C20H31N7O10/c1-8(24-19(35)15(21)9(2)29)16(32)27-13(6-28)18(34)25-11(3-10-5-22-7-23-10)17(33)26-12(20(36)37)4-14(30)31/h5,7-9,11-13,15,28-29H,3-4,6,21H2,1-2H3,(H,22,23)(H,24,35)(H,25,34)(H,26,33)(H,27,32)(H,30,31)(H,36,37)/t8-,9+,11-,12-,13-,15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | -1 » -2 |