Molecule ID: mol32180
SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI: InChI=1S/C27H29N3O4/c28-22(16-19-10-4-1-5-11-19)25(31)29-23(17-20-12-6-2-7-13-20)26(32)30-24(27(33)34)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18,28H2,(H,29,31)(H,30,32)(H,33,34)/t22-,23-,24-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | OCHEM | 1 » 0 |
| 7.04 | OCHEM | 0 » -1 |