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CHEBI:100243 - 1-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:100243
ChEBI Name1-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC23H28F2N4O5
Net Charge0
Average Mass478.496
Monoisotopic Mass478.20278
SMILESCOc1ccc(NC(=O)N[C@H]2CC[C@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)cc1
InChIInChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19+,21-/m1/s1
InChIKeyCXRYDROHJOKZNG-SLYNCCJLSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea (CHEBI:100243) is a C-glycosyl compound (CHEBI:20857)
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