Molecule ID: mol37277

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

InChI: InChI=1S/C12H20N4O7/c1-6(12(22)23)15-11(21)7(2-3-10(19)20)16-9(18)5-14-8(17)4-13/h6-7H,2-5,13H2,1H3,(H,14,17)(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization