Molecule ID: mol17326
SMILES: CO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](N)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O
InChI: InChI=1S/C32H49N5O7/c1-18-14-22-28(35-12-13-37(5)6)24(38)17-23(29(22)39)36-31(40)19(2)10-9-11-25(42-7)30(44-32(34)41)21(4)16-20(3)27(33)26(15-18)43-8/h9-11,16-18,20,25-27,30,35H,12-15,33H2,1-8H3,(H2,34,41)(H,36,40)/b11-9-,19-10-,21-16-/t18-,20+,25+,26+,27-,30+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |