Molecule ID: mol38085

SMILES: CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCCN)n1

InChI: InChI=1S/C22H34N8O3/c1-22(2,3)30-19(31)7-9-26-20(32)18(11-16-13-25-14-27-16)29-21(33)17-6-4-5-15(28-17)12-24-10-8-23/h4-6,13-14,18,24H,7-12,23H2,1-3H3,(H,25,27)(H,26,32)(H,29,33)(H,30,31)/t18-/m0/s1

Experimental Macro pKa Values

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