Molecule ID: mol21513

SMILES: C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1

InChI: InChI=1S/C36H41N5O6/c1-36(18-26-19-37-29-10-6-5-9-28(26)29,40-35(45)46-33-24-12-21-11-22(14-24)15-25(33)13-21)34(44)38-20-30(23-7-3-2-4-8-23)39-31(42)16-27-17-32(43)41-47-27/h2-10,17,19,21-22,24-25,30,33,37H,11-16,18,20H2,1H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t21?,22?,24?,25?,30-,33?,36+/m1/s1

Experimental Macro pKa Values

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