2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:123000)

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CHEBI:123000 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

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ChEBI ID	CHEBI:123000
ChEBI Name	2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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Downloads	Molfile

Formula	C30H30F3N3O5
Net Charge	0
Average Mass	569.580
Monoisotopic Mass	569.21376
SMILES	O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1
InChI	InChI=1S/C30H30F3N3O5/c31-30(32,33)19-6-8-20(9-7-19)35-29(39)36-21-10-11-25-23(14-21)24-15-22(40-26(17-37)28(24)41-25)16-27(38)34-13-12-18-4-2-1-3-5-18/h1-11,14,22,24,26,28,37H,12-13,15-17H2,(H,34,38)(H2,35,36,39)/t22-,24-,26+,28+/m0/s1
InChIKey	HHORGFBYQNPTJA-SFNAGVRGSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:123000) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-34443	LINCS