Molecule ID: mol36044

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)O

InChI: InChI=1S/C21H35N7O6/c1-5-11(4)17(28-19(31)16(23)10(2)3)20(32)26-13(6-12-8-24-9-25-12)18(30)27-14(21(33)34)7-15(22)29/h8-11,13-14,16-17H,5-7,23H2,1-4H3,(H2,22,29)(H,24,25)(H,26,32)(H,27,30)(H,28,31)(H,33,34)/t11-,13-,14-,16-,17-/m0/s1

Experimental Macro pKa Values

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