N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide (CHEBI:97681)

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CHEBI:97681 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

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ChEBI ID	CHEBI:97681
ChEBI Name	N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
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Downloads	Molfile

Formula	C28H29N3O5
Net Charge	0
Average Mass	487.556
Monoisotopic Mass	487.21072
SMILES	O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1
InChI	InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23+,25+,27-/m1/s1
InChIKey	ZFEMWODPVTXMHX-WFHOOFKDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide (CHEBI:97681) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-9060	LINCS