EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131050 - 2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone

ChEBI IDCHEBI:131050
ChEBI Name2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
Stars
DownloadsMolfile
FormulaC17H25N3O4S
Net Charge0
Average Mass367.471
Monoisotopic Mass367.15658
SMILESCN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(C)(=O)=O
InChIInChI=1S/C17H25N3O4S/c1-18(2)9-15(22)19-11-17(12-19)16(13-7-5-4-6-8-13)14(10-21)20(17)25(3,23)24/h4-8,14,16,21H,9-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyZCHHZBZNAHNPFR-GOEBONIOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone (CHEBI:131050) is a azetidines (CHEBI:38777)
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone (CHEBI:131050) is a benzenes (CHEBI:22712)
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone (CHEBI:131050) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42598LINCS