Molecule ID: mol20854
SMILES: CCOC(=O)CN[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(/C(N)=N/O)s1)C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C30H35N5O5S/c1-2-40-25(36)19-32-27(26(20-10-5-3-6-11-20)21-12-7-4-8-13-21)30(38)35-17-9-14-23(35)29(37)33-18-22-15-16-24(41-22)28(31)34-39/h3-8,10-13,15-16,23,26-27,32,39H,2,9,14,17-19H2,1H3,(H2,31,34)(H,33,37)/t23-,27-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | Baltruschat ChEMBL | 2 » 1 |