Molecule ID: mol37595
SMILES: CC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)CNC1=O
InChI: InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)28-14-23(41)32-21(9-6-12-36(48)18(3)39)27(45)30-15-24(42)33-20(8-5-11-35(47)17(2)38)26(44)29-13-22(40)31-19/h19-21,46-48H,4-15H2,1-3H3,(H,28,43)(H,29,44)(H,30,45)(H,31,40)(H,32,41)(H,33,42)/t19-,20-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | QSARToolbox | 0 » -1 |