Molecule ID: mol37634

SMILES: CCOC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CC(c1ncc[nH]1)c1ncc[nH]1)[C@@H](C)CC

InChI: InChI=1S/C25H35N9O5/c1-4-15(3)21(34-19(35)11-17(22-27-6-7-28-22)23-29-8-9-30-23)25(38)33-18(10-16-12-26-14-32-16)24(37)31-13-20(36)39-5-2/h6-9,12,14-15,17-18,21H,4-5,10-11,13H2,1-3H3,(H,26,32)(H,27,28)(H,29,30)(H,31,37)(H,33,38)(H,34,35)/t15-,18-,21-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.01 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization