2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:122950)

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CHEBI:122950 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

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ChEBI ID	CHEBI:122950
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
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Downloads	Molfile

Formula	C29H30FN3O6
Net Charge	0
Average Mass	535.572
Monoisotopic Mass	535.21186
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCc4ccccc4F)O[C@@H](CO)[C@@H]2O3)cc1
InChI	InChI=1S/C29H30FN3O6/c1-37-20-9-6-18(7-10-20)32-29(36)33-19-8-11-25-22(12-19)23-13-21(38-26(16-34)28(23)39-25)14-27(35)31-15-17-4-2-3-5-24(17)30/h2-12,21,23,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t21-,23+,26+,28-/m1/s1
InChIKey	CTJBWDZBZUSCES-DTZJUZMMSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:122950) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-34393	LINCS