Molecule ID: mol37702

SMILES: N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O

InChI: InChI=1S/C19H29N5O8/c20-11(5-6-15(26)27)18(31)24-8-2-4-13(24)19(32)23-7-1-3-12(23)17(30)22-9-14(25)21-10-16(28)29/h11-13H,1-10,20H2,(H,21,25)(H,22,30)(H,26,27)(H,28,29)/t11-,12-,13-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.17 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization