Molecule ID: mol38119

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)O

InChI: InChI=1S/C21H34N4O5/c1-13(2)11-18(21(29)30)25-20(28)17(12-14-6-8-15(26)9-7-14)24-19(27)16(23)5-3-4-10-22/h6-9,13,16-18,26H,3-5,10-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t16-,17-,18-/m0/s1

Experimental Macro pKa Values

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