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CHEBI:125725 - 1-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-[4-(4-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone

ChEBI IDCHEBI:125725
ChEBI Name1-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-[4-(4-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
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DownloadsMolfile
FormulaC24H30N2O4S
Net Charge0
Average Mass442.581
Monoisotopic Mass442.19263
SMILESCCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(=O)(=O)CC
InChIInChI=1S/C24H30N2O4S/c1-4-22(28)25-15-24(16-25)23(21(14-27)26(24)31(29,30)5-2)20-12-10-19(11-13-20)18-8-6-17(3)7-9-18/h6-13,21,23,27H,4-5,14-16H2,1-3H3/t21-,23-/m1/s1
InChIKeySVOCWFRBGOZTRL-FYYLOGMGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-[4-(4-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone (CHEBI:125725) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-37294LINCS