Molecule ID: mol19240
SMILES: Nc1n[nH]c(CCCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCCC2)n1
InChI: InChI=1S/C23H39N7O5/c24-23-27-19(28-29-23)11-6-12-26-35-21(33)15-30(17-9-4-5-10-17)22(34)18(25-14-20(31)32)13-16-7-2-1-3-8-16/h16-18,25-26H,1-15H2,(H,31,32)(H3,24,27,28,29)/t18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | Baltruschat ChEMBL | 0 » -1 |