EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118162 - N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:118162
ChEBI NameN-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC20H30N4O5S
Net Charge0
Average Mass438.550
Monoisotopic Mass438.19369
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1
InChIInChI=1S/C20H30N4O5S/c1-14(2)19-12-24(23-21-19)11-10-16-6-9-18(20(13-25)29-16)22-30(26,27)17-7-4-15(28-3)5-8-17/h4-5,7-8,12,14,16,18,20,22,25H,6,9-11,13H2,1-3H3/t16-,18+,20-/m0/s1
InChIKeyBQBXUVFZTSPBJE-HQRMLTQVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide (CHEBI:118162) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29611LINCS