Molecule ID: mol36701
SMILES: COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)N2CCOCC2)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C
InChI: InChI=1S/C33H46N6O7S/c1-21-18-28(45-4)22(2)23(3)30(21)47(43,44)37-26(20-29(40)38-14-16-46-17-15-38)32(41)36-27(33(42)39-12-6-5-7-13-39)19-24-8-10-25(11-9-24)31(34)35/h8-11,18,26-27,37H,5-7,12-17,19-20H2,1-4H3,(H3,34,35)(H,36,41)/t26-,27+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | QSARToolbox | 0 » -1 |