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CHEBI:128356 - (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:128356
ChEBI Name(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC28H29FN2O3
Net Charge0
Average Mass460.549
Monoisotopic Mass460.21622
SMILESO=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C28H29FN2O3/c29-23-14-12-22(13-15-23)28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-10-8-20(9-11-21)7-3-6-19-4-1-2-5-19/h8-15,19,24-25,27,32H,1-2,4-6,16-18H2/t24-,25+,27-/m1/s1
InChIKeyXFRFIHVPRYILDM-CMTIAEDTSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a ring assembly (CHEBI:36820)
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