Molecule ID: mol36701

SMILES: COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)N2CCOCC2)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C

InChI: InChI=1S/C33H46N6O7S/c1-21-18-28(45-4)22(2)23(3)30(21)47(43,44)37-26(20-29(40)38-14-16-46-17-15-38)32(41)36-27(33(42)39-12-6-5-7-13-39)19-24-8-10-25(11-9-24)31(34)35/h8-11,18,26-27,37H,5-7,12-17,19-20H2,1-4H3,(H3,34,35)(H,36,41)/t26-,27+/m0/s1

Experimental Macro pKa Values

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