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(1R,2R,5S)-1-(Methylthio)-2-hydroxy-5-(N-((R)-hydroxyphenylacetyl)aminocyclopent-3-ene
SpectraBase Compound ID K6lc4FckSis
InChI InChI=1S/C14H17NO3S/c1-19-13-10(7-8-11(13)16)15-14(18)12(17)9-5-3-2-4-6-9/h2-8,10-13,16-17H,1H3,(H,15,18)/t10-,11+,12+,13+/m0/s1
InChIKey BVZOHQCTGIIJLF-UMSGYPCISA-N
Mol Weight 279.35 g/mol
Molecular Formula C14H17NO3S
Exact Mass 279.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gLAzOeSRHu
Name (1R,2R,5S)-1-(Methylthio)-2-hydroxy-5-(N-((R)-hydroxyphenylacetyl)aminocyclopent-3-ene
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO3S
InChI InChI=1S/C14H17NO3S/c1-19-13-10(7-8-11(13)16)15-14(18)12(17)9-5-3-2-4-6-9/h2-8,10-13,16-17H,1H3,(H,15,18)/t10-,11+,12+,13+/m0/s1
InChIKey BVZOHQCTGIIJLF-UMSGYPCISA-N
Molecular Weight 279.354 g/mol
SMILES N(C([C@@](c1ccccc1)(O)[H])=O)[C@@]1([C@]([C@@](C=C1)(O)[H])(SC)[H])[H]
SPLASH splash10-001i-9020000000-00e939d6bad25582c355
Source of Spectrum C-116-568-13
Synonyms (2R)-2-hydroxy-N-[(1S,4R,5R)-4-hydroxy-5-(methylsulfanyl)-2-cyclopenten-1-yl]-2-phenylethanamide (2R)-2-hydroxy-N-[(1S,4R,5R)-4-hydroxy-5-(methylthio)-1-cyclopent-2-enyl]-2-phenylacetamide (2R)-2-hydroxy-N-[(1S,4R,5R)-4-hydroxy-5-methylsulfanylcyclopent-2-en-1-yl]-2-phenylacetamide (2R)-2-hydroxy-N-[(1S,4R,5R)-4-hydroxy-5-methylsulfanyl-cyclopent-2-en-1-yl]-2-phenyl-acetamide (2R)-N-[(1S,4R,5R)-5-methylsulfanyl-4-oxidanyl-cyclopent-2-en-1-yl]-2-oxidanyl-2-phenyl-ethanamide
Wiley ID 1282847