EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129281 - (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:129281
ChEBI Name(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC28H26N2O4S
Net Charge0
Average Mass486.593
Monoisotopic Mass486.16133
SMILESO=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H](CO)N12
InChIInChI=1S/C28H26N2O4S/c31-19-26-28(24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21)25-17-29(18-27(32)30(25)26)35(33,34)20-23-9-5-2-6-10-23/h1-10,13-16,25-26,28,31H,17-20H2/t25-,26-,28+/m0/s1
InChIKeyFRCJHAJPTLPMOO-UNCTUWKVSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129281) is a azetidines (CHEBI:38777)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129281) is a benzenes (CHEBI:22712)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129281) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40832LINCS