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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.37 OCHEM 1 » 0
7.04 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization