Molecule ID: mol32258

SMILES: COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2

InChI: InChI=1S/C36H34N4O7/c1-20-28(37-21(2)31(20)34(43)39-29(35(44)45)16-22-10-6-4-7-11-22)19-26-25-18-24(14-15-27(25)38-33(26)42)32(41)40-30(36(46)47-3)17-23-12-8-5-9-13-23/h4-15,18-19,29-30,37H,16-17H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)(H,44,45)/b26-19-/t29-,30+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 OCHEM 0 » -1
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Charge States and Microspecies Visualization