Molecule ID: mol37635
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCNC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)O
InChI: InChI=1S/C17H31N5O6/c1-5-9(2)14(17(28)20-8-13(24)25)22-16(27)12(18)6-7-19-15(26)10(3)21-11(4)23/h9-10,12,14H,5-8,18H2,1-4H3,(H,19,26)(H,20,28)(H,21,23)(H,22,27)(H,24,25)/t9-,10-,12-,14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | QSARToolbox | 0 » -1 |