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CHEBI:130045 - (6S,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130045
ChEBI Name(6S,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC25H27FN2O4S
Net Charge0
Average Mass470.566
Monoisotopic Mass470.16756
SMILESCC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1
InChIInChI=1S/C25H27FN2O4S/c1-17(2)5-3-6-18-9-11-19(12-10-18)25-22-14-27(15-24(30)28(22)23(25)16-29)33(31,32)21-8-4-7-20(26)13-21/h4,7-13,17,22-23,25,29H,5,14-16H2,1-2H3/t22-,23-,25-/m1/s1
InChIKeyCLEQMQKIMXWXCD-VDKIKQQVSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130045) is a azetidines (CHEBI:38777)
(6S,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130045) is a benzenes (CHEBI:22712)
(6S,7R,8S)-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130045) is a ring assembly (CHEBI:36820)
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