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CHEBI:126869 - (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126869
ChEBI Name(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC28H31N3O3
Net Charge0
Average Mass457.574
Monoisotopic Mass457.23654
SMILESO=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C28H31N3O3/c32-19-25-28(22-13-11-21(12-14-22)9-5-8-20-6-1-2-7-20)24-17-30(18-27(34)31(24)25)26(33)16-23-10-3-4-15-29-23/h3-4,10-15,20,24-25,28,32H,1-2,6-8,16-19H2/t24-,25+,28-/m1/s1
InChIKeyNAUONXSUQMPPJH-CERRFVOPSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126869) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126869) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126869) is a ring assembly (CHEBI:36820)
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