Molecule ID: mol32110

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1

InChI: InChI=1S/C35H43N5O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)46-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(41)11-12-31(42)40-45/h2-10,19,21-22,24-25,29,32,36,45H,11-18,20H2,1H3,(H,37,43)(H,38,41)(H,39,44)(H,40,42)/t21?,22?,24?,25?,29-,32?,35-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization