Molecule ID: mol38479

SMILES: CN[C@@H](CCCN(O)C(=O)CCNC(=O)CCNC(=O)[C@@H](N)[C@H](O)c1c[nH]cn1)C(=O)N[C@@H](CCCN)C(=O)N[C@H]1CCCN(O)C1=O

InChI: InChI=1S/C28H49N11O9/c1-31-17(25(43)36-18(5-2-10-29)26(44)37-19-7-4-14-39(48)28(19)46)6-3-13-38(47)22(41)9-12-33-21(40)8-11-34-27(45)23(30)24(42)20-15-32-16-35-20/h15-19,23-24,31,42,47-48H,2-14,29-30H2,1H3,(H,32,35)(H,33,40)(H,34,45)(H,36,43)(H,37,44)/t17-,18-,19-,23-,24+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.09 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization