CHEBI:129087 - (6R,7S,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,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 ID CHEBI:129087
Stars This entity has been manually annotated by a third party.
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Formula C27H23FN4O3
Net Charge 0
Average Mass 470.496
Monoisotopic Mass 470.17542
InChI InChI=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-/m0/s1
InChIKey RFRREKCMRAAOSC-GSLIJJQTSA-N
SMILES C1[C@H]2[C@@H]([C@H](N2C(=O)CN1C(=O)NC3=CC=C(C=C3)F)CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5
ChEBI Ontology
Outgoing (6R,7S,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:129087) is a azetidines (CHEBI:38777)
(6R,7S,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:129087) is a benzenes (CHEBI:22712)
(6R,7S,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:129087) is a ring assembly (CHEBI:36820)
Manual Xref Database
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