Molecule ID: mol32256

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

InChI: InChI=1S/C33H34N4O9/c1-17-25(34-18(2)28(17)31(41)37-26(32(42)43)14-19-8-6-5-7-9-19)16-22-21-15-20(10-11-23(21)35-30(22)40)29(39)36-24(33(44)46-4)12-13-27(38)45-3/h5-11,15-16,24,26,34H,12-14H2,1-4H3,(H,35,40)(H,36,39)(H,37,41)(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
3.04 OCHEM 0 » -1
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Charge States and Microspecies Visualization