COVPDB

Ligand

Ligand Name: 9‐benzoyl‐3‐fluoro‐N‐acetylneuraminic acid
Ligand Type: non-polymer
Ligand ID: COVPDB556	PubChem: 24779682
Synonym(s): 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid q27458378 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid bfn show 3 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](O)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C(O)=O
Standard InChI: InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1
Molecular Formula: C18H23FN2O9	Mol. Weight: 430.13876	logP: -2.4861
HBD: 7	HBA: 8
#Rotatable Bonds: 7	TPSA: 185.65