2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:100955)

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CHEBI:100955 - 2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:100955
ChEBI Name	2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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Formula	C21H28N2O6
Net Charge	0
Average Mass	404.463
Monoisotopic Mass	404.19474
SMILES	COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1
InChI	InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16-,18-,20+/m0/s1
InChIKey	KXSIODNMTPRENB-PFSLXQJOSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:100955) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-12328	LINCS