Molecule ID: mol20927

SMILES: CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O

InChI: InChI=1S/C29H40N4O4/c1-4-11-24-29(36)33(3)21(2)27(34)32-25(20-22-12-6-5-7-13-22)28(35)31-17-10-15-23-14-8-9-16-26(23)37-19-18-30-24/h5-9,12-14,16,21,24-25,30H,4,10-11,15,17-20H2,1-3H3,(H,31,35)(H,32,34)/t21-,24+,25-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.45 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization