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CHEBI:118328 - 1-(2,5-difluorophenyl)-3-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea

ChEBI IDCHEBI:118328
ChEBI Name1-(2,5-difluorophenyl)-3-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea
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FormulaC22H27F2N3O5S
Net Charge0
Average Mass483.537
Monoisotopic Mass483.16395
SMILESCc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)c1
InChIInChI=1S/C22H27F2N3O5S/c1-14-3-2-4-17(11-14)33(30,31)27-19-8-6-16(32-21(19)13-28)9-10-25-22(29)26-20-12-15(23)5-7-18(20)24/h2-5,7,11-12,16,19,21,27-28H,6,8-10,13H2,1H3,(H2,25,26,29)/t16-,19-,21+/m0/s1
InChIKeyGELVUGAWQDMXAC-NBHGPNQESA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2,5-difluorophenyl)-3-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea (CHEBI:118328) is a C-glycosyl compound (CHEBI:20857)
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