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CHEBI:130838 - (6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130838
ChEBI Name(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC23H30N2O4S
Net Charge0
Average Mass430.570
Monoisotopic Mass430.19263
SMILESCCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C23H30N2O4S/c1-2-30(28,29)24-14-20-23(21(16-26)25(20)22(27)15-24)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20-21,23,26H,2-7,14-16H2,1H3/t20-,21+,23-/m1/s1
InChIKeyCGCMBOVQMWYHMO-FUPPJEDESA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130838) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130838) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130838) is a ring assembly (CHEBI:36820)
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