Molecule ID: mol32255
SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI: InChI=1S/C35H32N4O7/c1-19-27(36-20(2)30(19)33(42)39-29(35(45)46)16-22-11-7-4-8-12-22)18-25-24-17-23(13-14-26(24)37-32(25)41)31(40)38-28(34(43)44)15-21-9-5-3-6-10-21/h3-14,17-18,28-29,36H,15-16H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)(H,45,46)/b25-18-/t28-,29+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | OCHEM | 0 » -1 |