CHEBI:128507 - (6S,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,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 ID CHEBI:128507
Stars This entity has been manually annotated by a third party.
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Formula C29H25FN2O4
Net Charge 0
Average Mass 484.519
Monoisotopic Mass 484.17984
InChI InChI=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-/m1/s1
InChIKey UHEZHVIWXIFSSE-FULLSBAXSA-N
SMILES COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=C(C=C5)F
ChEBI Ontology
Outgoing (6S,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:128507) is a azetidines (CHEBI:38777)
(6S,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:128507) is a benzenes (CHEBI:22712)
(6S,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:128507) is a ring assembly (CHEBI:36820)
Manual Xref Database
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