Molecule ID: mol37720

SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)O

InChI: InChI=1S/C12H23N3O4S2/c1-20-5-3-8(13)11(17)14-7-10(16)15-9(12(18)19)4-6-21-2/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9-/m0/s1

Experimental Macro pKa Values

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