EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:123526 - 1-(3,5-dichlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea

ChEBI IDCHEBI:123526
ChEBI Name1-(3,5-dichlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
Stars
DownloadsMolfile
FormulaC20H27Cl2N5O3
Net Charge0
Average Mass456.374
Monoisotopic Mass455.14910
SMILESCC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H](CO)O2)nn1
InChIInChI=1S/C20H27Cl2N5O3/c1-12(2)18-10-27(26-25-18)6-5-16-3-4-17(19(11-28)30-16)24-20(29)23-15-8-13(21)7-14(22)9-15/h7-10,12,16-17,19,28H,3-6,11H2,1-2H3,(H2,23,24,29)/t16-,17-,19-/m0/s1
InChIKeyWAMQJZQECGGADK-LNLFQRSKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dichlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea (CHEBI:123526) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-34968LINCS