N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:123073)

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CHEBI:123073 - N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:123073
ChEBI Name	N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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Downloads	Molfile

Formula	C27H31ClN2O6
Net Charge	0
Average Mass	515.006
Monoisotopic Mass	514.18706
SMILES	O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1
InChI	InChI=1S/C27H31ClN2O6/c28-18-3-1-16(2-4-18)14-29-25(32)13-20-12-22-21-11-19(30-27(33)17-7-9-34-10-8-17)5-6-23(21)36-26(22)24(15-31)35-20/h1-6,11,17,20,22,24,26,31H,7-10,12-15H2,(H,29,32)(H,30,33)/t20-,22+,24+,26-/m0/s1
InChIKey	OKSBXXIUCLCGOM-RXDHMRHRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:123073) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-34516	LINCS