Molecule ID: mol37730

SMILES: N[C@@H](CSSC[C@H](N)C(=O)NCC(=O)NCC(=O)O)C(=O)NCC(=O)NCC(=O)O

InChI: InChI=1S/C14H24N6O8S2/c15-7(13(27)19-1-9(21)17-3-11(23)24)5-29-30-6-8(16)14(28)20-2-10(22)18-4-12(25)26/h7-8H,1-6,15-16H2,(H,17,21)(H,18,22)(H,19,27)(H,20,28)(H,23,24)(H,25,26)/t7-,8-/m0/s1

Experimental Macro pKa Values

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