[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898)

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CHEBI:149898 - [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate

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ChEBI ID	CHEBI:149898
ChEBI Name	[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate
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Downloads	Molfile

Formula	C31H28ClN3O10
Net Charge	0
Average Mass	638.029
Monoisotopic Mass	637.14632
SMILES	CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccn3)cc(-c3ccc(Cl)cc3)c(C#N)c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI	InChI=1S/C31H28ClN3O10/c1-16(36)41-15-26-27(42-17(2)37)28(43-18(3)38)29(44-19(4)39)31(45-26)35-25(24-7-5-6-12-34-24)13-22(23(14-33)30(35)40)20-8-10-21(32)11-9-20/h5-13,26-29,31H,15H2,1-4H3/t26-,27-,28+,29-,31-/m1/s1
InChIKey	LFPHQWJKQSFZFF-PAVKSNICSA-N

Roles Classification

Biological Role:

anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses.

ChEBI Ontology

Outgoing Relation(s)
	[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) has functional parent tetracarboxylic acid (CHEBI:35742)
	[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) has role anticoronaviral agent (CHEBI:149553)
	[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) is a organooxygen compound (CHEBI:36963)