Molecule ID: mol16608
SMILES: COC(=O)C(Cc1ccc(O)cc1)NC(=O)CN(CCN(CC(=O)O)CC(=O)NC(Cc1ccc(O)cc1)C(=O)OC)CC(=O)O
InChI: InChI=1S/C30H38N4O12/c1-45-29(43)23(13-19-3-7-21(35)8-4-19)31-25(37)15-33(17-27(39)40)11-12-34(18-28(41)42)16-26(38)32-24(30(44)46-2)14-20-5-9-22(36)10-6-20/h3-10,23-24,35-36H,11-18H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | OCHEM | 0 » -1 |
| 6.80 | Baltruschat ChEMBL | 0 » -1 |