EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127439 - N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide

ChEBI IDCHEBI:127439
ChEBI NameN-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
Stars
DownloadsMolfile
FormulaC18H28N2O4S
Net Charge0
Average Mass368.499
Monoisotopic Mass368.17698
SMILESCCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C18H28N2O4S/c1-5-17(22)20-15(11-19(13(2)3)25(4,23)24)18(16(20)12-21)14-9-7-6-8-10-14/h6-10,13,15-16,18,21H,5,11-12H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyXIPGPWYGMVQVNH-JZXOWHBKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide (CHEBI:127439) is a azetidines (CHEBI:38777)
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide (CHEBI:127439) is a benzenes (CHEBI:22712)
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide (CHEBI:127439) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38997LINCS