Molecule ID: mol16557
SMILES: COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C31H52N2O4/c1-21(19-32-17-7-8-28(34)36-6)25-11-12-26-24-10-9-22-18-23(37-29(35)20-33(4)5)13-15-30(22,2)27(24)14-16-31(25,26)3/h9,21,23-27,32H,7-8,10-20H2,1-6H3/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | Baltruschat ChEMBL | 2 » 1 |