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CHEBI:126006 - (6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126006
ChEBI Name(6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC29H25FN2O4
Net Charge0
Average Mass484.527
Monoisotopic Mass484.17984
SMILESCOc1ccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1
InChIInChI=1S/C29H25FN2O4/c1-36-24-14-6-20(7-15-24)3-2-19-4-8-21(9-5-19)28-25-16-31(17-27(34)32(25)26(28)18-33)29(35)22-10-12-23(30)13-11-22/h4-15,25-26,28,33H,16-18H2,1H3/t25-,26-,28+/m0/s1
InChIKeyUHEZHVIWXIFSSE-UNCTUWKVSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126006) is a azetidines (CHEBI:38777)
(6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126006) is a benzenes (CHEBI:22712)
(6R,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126006) is a ring assembly (CHEBI:36820)
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