Molecule ID: mol37659

SMILES: CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O

InChI: InChI=1S/C23H33N5O8/c1-11(25-13(3)30)21(34)26-15(9-14-6-7-17(31)18(32)10-14)22(35)27-19(12(2)29)23(36)28-8-4-5-16(28)20(24)33/h6-7,10-12,15-16,19,29,31-32H,4-5,8-9H2,1-3H3,(H2,24,33)(H,25,30)(H,26,34)(H,27,35)/t11-,12+,15-,16-,19-/m0/s1

Experimental Macro pKa Values

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