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CHEBI:118446 - 1-(4-chlorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea

ChEBI IDCHEBI:118446
ChEBI Name1-(4-chlorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
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FormulaC23H25ClFN5O3
Net Charge0
Average Mass473.936
Monoisotopic Mass473.16300
SMILESO=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO
InChIInChI=1S/C23H25ClFN5O3/c24-15-5-7-16(8-6-15)26-23(32)27-20-10-9-17(33-22(20)14-31)11-12-30-13-21(28-29-30)18-3-1-2-4-19(18)25/h1-8,13,17,20,22,31H,9-12,14H2,(H2,26,27,32)/t17-,20-,22-/m0/s1
InChIKeyDFXHLBQSDWHRLL-XJABCFGWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea (CHEBI:118446) is a C-glycosyl compound (CHEBI:20857)
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