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CHEBI:113159 - (5R)-5-tert-butyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone

ChEBI IDCHEBI:113159
ChEBI Name(5R)-5-tert-butyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone
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DownloadsMolfile
FormulaC26H35NOS
Net Charge0
Average Mass409.639
Monoisotopic Mass409.24394
SMILESCc1ccc(S[C@@H](CCN2CC[C@H](C(C)(C)C)CCC2=O)c2ccccc2)cc1
InChIInChI=1S/C26H35NOS/c1-20-10-13-23(14-11-20)29-24(21-8-6-5-7-9-21)17-19-27-18-16-22(26(2,3)4)12-15-25(27)28/h5-11,13-14,22,24H,12,15-19H2,1-4H3/t22-,24+/m1/s1
InChIKeyZIWLVNLLFFCICD-VWNXMTODSA-N
ChEBI Ontology
Outgoing Relation(s)
(5R)-5-tert-butyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone (CHEBI:113159) is a caprolactams (CHEBI:23000)
Manual XrefsDatabases
LSM-24570LINCS