Molecule ID: mol37418

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

InChI: InChI=1S/C23H26N2O8/c1-31-22(29)19(13-26)24-21(28)18(12-20(27)32-14-16-8-4-2-5-9-16)25-23(30)33-15-17-10-6-3-7-11-17/h2-11,18-19,26H,12-15H2,1H3,(H,24,28)(H,25,30)/t18-,19-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.18 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization