2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:102736)

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CHEBI:102736 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

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ChEBI ID	CHEBI:102736
ChEBI Name	2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
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Downloads	Molfile

Formula	C29H31N3O5
Net Charge	0
Average Mass	501.583
Monoisotopic Mass	501.22637
SMILES	C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1
InChI	InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24-,26+,29+/m0/s1
InChIKey	XWECZACFMCVSEP-PXEJVSPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:102736) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-14082	LINCS