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CHEBI:120108 - 1-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

ChEBI IDCHEBI:120108
ChEBI Name1-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC20H28FN5O3
Net Charge0
Average Mass405.474
Monoisotopic Mass405.21762
SMILESCC(C)NC(=O)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO
InChIInChI=1S/C20H28FN5O3/c1-13(2)22-20(28)23-17-8-7-16(29-19(17)12-27)9-10-26-11-18(24-25-26)14-3-5-15(21)6-4-14/h3-6,11,13,16-17,19,27H,7-10,12H2,1-2H3,(H2,22,23,28)/t16-,17-,19+/m0/s1
InChIKeyIVGXTVZUVQFGHY-JENIJYKNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea (CHEBI:120108) is a C-glycosyl compound (CHEBI:20857)
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