CHEBI:118343 - 1-(2,5-difluorophenyl)-3-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea

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ChEBI Name 1-(2,5-difluorophenyl)-3-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea
ChEBI ID CHEBI:118343
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27F2N3O5S
Net Charge 0
Average Mass 483.531
Monoisotopic Mass 483.16395
InChI InChI=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
InChIKey GELVUGAWQDMXAC-SCWSEQNSSA-N
SMILES CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F
ChEBI Ontology
Outgoing 1-(2,5-difluorophenyl)-3-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea (CHEBI:118343) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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