Molecule ID: mol37693

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)O

InChI: InChI=1S/C14H27N3O4/c1-8(2)5-10(15)13(20)17-11(6-9(3)4)14(21)16-7-12(18)19/h8-11H,5-7,15H2,1-4H3,(H,16,21)(H,17,20)(H,18,19)/t10-,11-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.42 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization