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CHEBI:129272 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:129272
ChEBI Name(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
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FormulaC21H24N2O4S
Net Charge0
Average Mass400.500
Monoisotopic Mass400.14568
SMILESCc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CC(=O)N3[C@H]2CO)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-5-3-4-6-17(14)15-7-9-16(10-8-15)21-18-11-22(28(2,26)27)12-20(25)23(18)19(21)13-24/h3-10,18-19,21,24H,11-13H2,1-2H3/t18-,19+,21-/m1/s1
InChIKeyIMRBVWRRZLZKRA-SVFBPWRDSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129272) is a biphenyls (CHEBI:22888)
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