2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:123120)

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CHEBI:123120 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

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ChEBI ID	CHEBI:123120
ChEBI Name	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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Downloads	Molfile

Formula	C26H31N3O6
Net Charge	0
Average Mass	481.549
Monoisotopic Mass	481.22129
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCC4CC4)O[C@H](CO)[C@H]2O3)cc1
InChI	InChI=1S/C26H31N3O6/c1-33-18-7-4-16(5-8-18)28-26(32)29-17-6-9-22-20(10-17)21-11-19(34-23(14-30)25(21)35-22)12-24(31)27-13-15-2-3-15/h4-10,15,19,21,23,25,30H,2-3,11-14H2,1H3,(H,27,31)(H2,28,29,32)/t19-,21-,23-,25+/m1/s1
InChIKey	SRZDSTZFHOVQBI-YTAKYCMFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:123120) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-34562	LINCS