Molecule ID: mol37283

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

InChI: InChI=1S/C17H31N5O6/c1-5-9(2)14(17(28)19-8-13(24)25)22-16(27)12(6-7-18)21-15(26)10(3)20-11(4)23/h9-10,12,14H,5-8,18H2,1-4H3,(H,19,28)(H,20,23)(H,21,26)(H,22,27)(H,24,25)/t9-,10-,12-,14-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization