Molecule ID: mol37274

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

InChI: InChI=1S/C11H19N5O6/c1-5(11(21)22)15-10(20)6(2-7(13)17)16-9(19)4-14-8(18)3-12/h5-6H,2-4,12H2,1H3,(H2,13,17)(H,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6-/m0/s1

Experimental Macro pKa Values

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