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CHEBI:130944 - 1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone

ChEBI IDCHEBI:130944
ChEBI Name1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
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DownloadsMolfile
FormulaC23H28N2O4S
Net Charge0
Average Mass428.554
Monoisotopic Mass428.17698
SMILESCCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@H](CO)N2S(C)(=O)=O
InChIInChI=1S/C23H28N2O4S/c1-4-21(27)24-14-23(15-24)22(20(13-26)25(23)30(3,28)29)18-10-8-17(9-11-18)19-7-5-6-16(2)12-19/h5-12,20,22,26H,4,13-15H2,1-3H3/t20-,22-/m0/s1
InChIKeyFPWPEMULKRPRSL-UNMCSNQZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone (CHEBI:130944) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-42492LINCS