Molecule ID: mol32259

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

InChI: InChI=1S/C24H25N3O8/c1-11-18(25-12(2)20(11)23(31)32)10-15-14-9-13(5-6-16(14)26-22(15)30)21(29)27-17(24(33)35-4)7-8-19(28)34-3/h5-6,9-10,17,25H,7-8H2,1-4H3,(H,26,30)(H,27,29)(H,31,32)/b15-10-/t17-/m1/s1

Experimental Macro pKa Values

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