2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117585)

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CHEBI:117585 - 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI ID	CHEBI:117585
ChEBI Name	2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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Downloads	Molfile

Formula	C22H31N3O5
Net Charge	0
Average Mass	417.506
Monoisotopic Mass	417.22637
SMILES	CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1
InChI	InChI=1S/C22H31N3O5/c1-25(2)20(27)11-15-10-17-16-9-14(24-22(28)23-13-5-3-4-6-13)7-8-18(16)30-21(17)19(12-26)29-15/h7-9,13,15,17,19,21,26H,3-6,10-12H2,1-2H3,(H2,23,24,28)/t15-,17-,19+,21+/m1/s1
InChIKey	ZQPIRYHZQRYESG-DOSUHQCWSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117585) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-29034	LINCS