Molecule ID: mol19242
SMILES: Nc1n[nH]c(CCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCCC2)n1
InChI: InChI=1S/C22H37N7O5/c23-22-26-18(27-28-22)10-11-25-34-20(32)14-29(16-8-4-5-9-16)21(33)17(24-13-19(30)31)12-15-6-2-1-3-7-15/h15-17,24-25H,1-14H2,(H,30,31)(H3,23,26,27,28)/t17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | Baltruschat ChEMBL | 0 » -1 |