Molecule ID: mol37703
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChI: InChI=1S/C32H49N9O7/c1-19(2)13-24(40-29(45)23(34)11-7-8-12-33)31(47)38-20(3)28(44)39-26(15-22-16-35-18-37-22)32(48)41-25(30(46)36-17-27(42)43)14-21-9-5-4-6-10-21/h4-6,9-10,16,18-20,23-26H,7-8,11-15,17,33-34H2,1-3H3,(H,35,37)(H,36,46)(H,38,47)(H,39,44)(H,40,45)(H,41,48)(H,42,43)/t20-,23-,24-,25-,26-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 3 » 2 |