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CHEBI:122913 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

ChEBI IDCHEBI:122913
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
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DownloadsMolfile
FormulaC30H33N3O6
Net Charge0
Average Mass531.609
Monoisotopic Mass531.23694
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C30H33N3O6/c1-18(19-6-4-3-5-7-19)31-28(35)16-23-15-25-24-14-21(10-13-26(24)39-29(25)27(17-34)38-23)33-30(36)32-20-8-11-22(37-2)12-9-20/h3-14,18,23,25,27,29,34H,15-17H2,1-2H3,(H,31,35)(H2,32,33,36)/t18-,23+,25-,27-,29+/m0/s1
InChIKeyHXJPIEDLBOYUCY-PCIULKPKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:122913) is a ureas (CHEBI:47857)
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