 |
| Ligand Name: methyl 2-{N-[(3E,5E)-2-oxohexadeca-3,5-dien-1-yl]-4-methylbenzenesulfonamido}acetate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1349 |
PubChem:
145973900
|
| Synonym(s):
|
| DrugBank: - |
ChEMBL: CHEMBL4214774 |
| Canonical SMILES: CCCCCCCCCC/C=C/C=C/C(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 |
| Standard InChI: InChI=1S/C26H39NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)21-27(22-26(29)32-3)33(30,31)25-19-17-23(2)18-20-25/h13-20H,4-12,21-22H2,1-3H3/b14-13+,16-15+ |
| Molecular Formula: C26H39NO5S |
Mol. Weight: 477.25488 |
logP: 5.37102 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 17 | TPSA: 80.75 |