Molecule ID: mol37658

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI: InChI=1S/C31H53N7O13/c1-14(2)12-20(28(47)34-18(7-9-22(33)40)27(46)35-19(31(50)51)8-11-24(43)44)37-30(49)25(16(5)39)38-29(48)21(13-15(3)4)36-26(45)17(32)6-10-23(41)42/h14-21,25,39H,6-13,32H2,1-5H3,(H2,33,40)(H,34,47)(H,35,46)(H,36,45)(H,37,49)(H,38,48)(H,41,42)(H,43,44)(H,50,51)/t16-,17+,18+,19+,20+,21+,25+/m1/s1

Experimental Macro pKa Values

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