Molecule ID: mol37636

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

InChI: InChI=1S/C16H29N5O6/c1-5-8(2)13(16(27)19-7-12(23)24)21-15(26)11(17)6-18-14(25)9(3)20-10(4)22/h8-9,11,13H,5-7,17H2,1-4H3,(H,18,25)(H,19,27)(H,20,22)(H,21,26)(H,23,24)/t8-,9-,11-,13-/m0/s1

Experimental Macro pKa Values

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