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CHEBI:123486 - 1-(4-chlorophenyl)-3-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea

ChEBI IDCHEBI:123486
ChEBI Name1-(4-chlorophenyl)-3-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
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FormulaC22H30ClN5O4
Net Charge0
Average Mass463.966
Monoisotopic Mass463.19863
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO
InChIInChI=1S/C22H30ClN5O4/c23-15-3-5-16(6-4-15)24-21(30)25-18-8-7-17(32-19(18)14-29)9-12-28-13-20(26-27-28)22(31)10-1-2-11-22/h3-6,13,17-19,29,31H,1-2,7-12,14H2,(H2,24,25,30)/t17-,18+,19-/m0/s1
InChIKeyCRKZLQDDCDYEJL-OTWHNJEPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-3-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea (CHEBI:123486) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-34928LINCS