Molecule ID: mol32808

SMILES: CCC1C(=O)NC(Cc2[nH]c(C=C3N=C(CC4NC(=O)C(C)C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)C1C

InChI: InChI=1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.60 OCHEM -1 » -2
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Charge States and Microspecies Visualization