Molecule ID: mol32266

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

InChI: InChI=1S/C50H73N11O11/c1-8-27(6)39(52)46(68)58-41(26(4)5)48(70)59-40(25(2)3)47(69)57-36(22-29-15-17-31(63)18-16-29)50(72)61-21-11-14-37(61)45(67)56-35(23-30-24-54-33-13-10-9-12-32(30)33)44(66)60-42(28(7)62)49(71)55-34(43(53)65)19-20-38(51)64/h9-10,12-13,15-18,24-28,34-37,39-42,54,62-63H,8,11,14,19-23,52H2,1-7H3,(H2,51,64)(H2,53,65)(H,55,71)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,60,66)/t27-,28+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1

Experimental Macro pKa Values

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