N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:118712)

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CHEBI:118712 - N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI ID	CHEBI:118712
ChEBI Name	N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
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Downloads	Molfile

Formula	C24H26N2O7
Net Charge	0
Average Mass	454.479
Monoisotopic Mass	454.17400
SMILES	COc1ccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](CO)O2)cc1
InChI	InChI=1S/C24H26N2O7/c1-30-17-5-2-15(3-6-17)12-25-23(28)11-18-7-8-19(22(13-27)33-18)26-24(29)16-4-9-20-21(10-16)32-14-31-20/h2-10,18-19,22,27H,11-14H2,1H3,(H,25,28)(H,26,29)/t18-,19+,22-/m0/s1
InChIKey	SJKHPSVPSLXDSV-JQVVWYNYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:118712) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-30161	LINCS