Molecule ID: mol21511

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

InChI: InChI=1S/C34H43N4O6P/c1-34(17-26-18-35-28-11-7-6-10-27(26)28,38-33(41)44-31-24-13-21-12-22(15-24)16-25(31)14-21)32(40)36-19-29(23-8-4-3-5-9-23)37-30(39)20-45(2,42)43/h3-11,18,21-22,24-25,29,31,35H,12-17,19-20H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43)/t21?,22?,24?,25?,29-,31?,34-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.80 OCHEM 1 » 0
3.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization