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CHEBI:129455 - (6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:129455
ChEBI Name(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC28H31N3O3
Net Charge0
Average Mass457.574
Monoisotopic Mass457.23654
SMILESO=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C28H31N3O3/c32-19-25-28(23-12-10-21(11-13-23)9-8-20-5-2-1-3-6-20)24-17-30(18-27(34)31(24)25)26(33)15-22-7-4-14-29-16-22/h4,7,10-14,16,20,24-25,28,32H,1-3,5-6,15,17-19H2/t24-,25+,28-/m1/s1
InChIKeyLTPPVAHCAPZBBO-CERRFVOPSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129455) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129455) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129455) is a ring assembly (CHEBI:36820)
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