Molecule ID: mol19236

SMILES: N=C(N)NC(=O)c1ccc(NOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCCC2)cc1

InChI: InChI=1S/C26H38N6O6/c27-26(28)30-24(36)18-10-12-19(13-11-18)31-38-23(35)16-32(20-8-4-5-9-20)25(37)21(29-15-22(33)34)14-17-6-2-1-3-7-17/h10-13,17,20-21,29,31H,1-9,14-16H2,(H,33,34)(H4,27,28,30,36)/t21-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization