Molecule ID: mol37399

SMILES: CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(c1ncc[nH]1)c1ncc[nH]1

InChI: InChI=1S/C22H32N8O4/c1-13(2)11-15(28-22(34)16-5-4-10-30(16)14(3)31)21(33)27-12-17(32)29-18(19-23-6-7-24-19)20-25-8-9-26-20/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3,(H,23,24)(H,25,26)(H,27,33)(H,28,34)(H,29,32)/t15-,16-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.31 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization