2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:110294)

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CHEBI:110294 - 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

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ChEBI ID	CHEBI:110294
ChEBI Name	2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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Downloads	Molfile

Formula	C29H30FN3O5
Net Charge	0
Average Mass	519.573
Monoisotopic Mass	519.21695
SMILES	O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1
InChI	InChI=1S/C29H30FN3O5/c30-23-8-4-5-9-24(23)33-29(36)32-19-10-11-25-21(14-19)22-15-20(37-26(17-34)28(22)38-25)16-27(35)31-13-12-18-6-2-1-3-7-18/h1-11,14,20,22,26,28,34H,12-13,15-17H2,(H,31,35)(H2,32,33,36)/t20-,22+,26-,28-/m0/s1
InChIKey	OEYUNRREIFVABF-HYRFHYEVSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:110294) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-21743	LINCS