Molecule ID: mol36146

SMILES: O=C(O)CN(CCCN(CC(=O)O)C[C@H](Cc1ccccc1)N(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C22H31N3O10/c26-18(27)11-23(7-4-8-24(12-19(28)29)13-20(30)31)10-17(9-16-5-2-1-3-6-16)25(14-21(32)33)15-22(34)35/h1-3,5-6,17H,4,7-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/t17-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.70 QSARToolbox -4 » -5
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Charge States and Microspecies Visualization