N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide (CHEBI:102434)

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CHEBI:102434 - N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide

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ChEBI ID	CHEBI:102434
ChEBI Name	N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
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Formula	C30H31N3O5
Net Charge	0
Average Mass	513.594
Monoisotopic Mass	513.22637
SMILES	O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2
InChI	InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27+,30-/m0/s1
InChIKey	ZUSAVEKAEPAMKG-MFYQUPDPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide (CHEBI:102434) is a isoquinolines (CHEBI:24922)

Manual Xrefs	Databases
LSM-13785	LINCS