Molecule ID: mol32260

SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CN)C(N)=O)[C@@H](C)O)C(C)C

InChI: InChI=1S/C42H60N10O9/c1-21(2)33(44)39(58)50-34(22(3)4)40(59)48-30(17-24-12-14-26(54)15-13-24)42(61)52-16-8-11-32(52)38(57)47-29(18-25-20-46-28-10-7-6-9-27(25)28)37(56)51-35(23(5)53)41(60)49-31(19-43)36(45)55/h6-7,9-10,12-15,20-23,29-35,46,53-54H,8,11,16-19,43-44H2,1-5H3,(H2,45,55)(H,47,57)(H,48,59)(H,49,60)(H,50,58)(H,51,56)/t23-,29+,30+,31-,32+,33+,34+,35+/m1/s1

Experimental Macro pKa Values

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