Molecule ID: mol37257
SMILES: CC[C@H]1OC(=O)CC(O)[C@H](C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CCN(C)C(=O)[C@H](C)N)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
InChI: InChI=1S/C38H68N4O8/c1-12-33-25(4)19-23(2)13-14-31(43)24(3)20-29(15-16-41(10)17-18-42(11)37(47)28(7)39)36(27(6)32(44)22-34(45)49-33)50-38-35(46)30(40(8)9)21-26(5)48-38/h13-14,19,24-30,32-33,35-36,38,44,46H,12,15-18,20-22,39H2,1-11H3/b14-13+,23-19+/t24-,25+,26-,27+,28+,29+,30+,32?,33-,35-,36?,38+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.81 | QSARToolbox | 3 » 2 |