Molecule ID: mol37276

SMILES: C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN)C(=O)O

InChI: InChI=1S/C12H21N5O6/c1-6(12(22)23)16-11(21)7(2-3-8(14)18)17-10(20)5-15-9(19)4-13/h6-7H,2-5,13H2,1H3,(H2,14,18)(H,15,19)(H,16,21)(H,17,20)(H,22,23)/t6-,7-/m0/s1

Experimental Macro pKa Values

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