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CHEBI:129548 - (6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:129548
ChEBI Name(6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
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DownloadsMolfile
FormulaC27H23FN4O3
Net Charge0
Average Mass470.504
Monoisotopic Mass470.17542
SMILESO=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1
InChIInChI=1S/C27H23FN4O3/c28-21-9-11-22(12-10-21)30-27(35)31-15-23-26(24(17-33)32(23)25(34)16-31)20-7-5-18(6-8-20)3-4-19-2-1-13-29-14-19/h1-2,5-14,23-24,26,33H,15-17H2,(H,30,35)/t23-,24-,26-/m1/s1
InChIKeyRFRREKCMRAAOSC-DGWZTRNLSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129548) is a azetidines (CHEBI:38777)
(6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129548) is a benzenes (CHEBI:22712)
(6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129548) is a ring assembly (CHEBI:36820)
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