Molecule ID: mol32257

SMILES: COC(=O)CC[C@H](NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c1C)C(=O)OC

InChI: InChI=1S/C33H34N4O9/c1-17-25(34-18(2)28(17)31(41)36-24(33(44)46-4)12-13-27(38)45-3)16-22-21-15-20(10-11-23(21)35-30(22)40)29(39)37-26(32(42)43)14-19-8-6-5-7-9-19/h5-11,15-16,24,26,34H,12-14H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)(H,42,43)/b22-16-/t24-,26+/m0/s1

Experimental Macro pKa Values

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