2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:102027)

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CHEBI:102027 - 2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

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ChEBI ID	CHEBI:102027
ChEBI Name	2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
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Downloads	Molfile

Formula	C24H28FN3O5
Net Charge	0
Average Mass	457.502
Monoisotopic Mass	457.20130
SMILES	CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1
InChI	InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17+,21-,23-/m1/s1
InChIKey	KFOACEMMMUKWEO-AIVLZAJPSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:102027) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-13388	LINCS