Molecule ID: mol37595

SMILES: CC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)CNC1=O

InChI: InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)28-14-23(41)32-21(9-6-12-36(48)18(3)39)27(45)30-15-24(42)33-20(8-5-11-35(47)17(2)38)26(44)29-13-22(40)31-19/h19-21,46-48H,4-15H2,1-3H3,(H,28,43)(H,29,44)(H,30,45)(H,31,40)(H,32,41)(H,33,42)/t19-,20-,21-/m0/s1

Experimental Macro pKa Values

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