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(2S,4'S,5'R)-1-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-2-[bis(methylsulfanyl)methyleneamino]-3-phenylpropan-1-one
SpectraBase Compound ID 72taLQazxpj
InChI InChI=1S/C23H27N3O2S2/c1-16-20(18-13-9-6-10-14-18)26(23(28)25(16)2)21(27)19(24-22(29-3)30-4)15-17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3/t16-,19-,20-/m0/s1
InChIKey UWHCQDUTZTWILZ-VDGAXYAQSA-N
Mol Weight 441.61 g/mol
Molecular Formula C23H27N3O2S2
Exact Mass 441.154469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gG2Uq1fv4w
Name (2S,4'S,5'R)-1-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-2-[bis(methylsulfanyl)methyleneamino]-3-phenylpropan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C23H27N3O2S2
InChI InChI=1S/C23H27N3O2S2/c1-16-20(18-13-9-6-10-14-18)26(23(28)25(16)2)21(27)19(24-22(29-3)30-4)15-17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3/t16-,19-,20-/m0/s1
InChIKey UWHCQDUTZTWILZ-VDGAXYAQSA-N
Molecular Weight 441.608 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(c1ccccc1)[H])C([C@@](N=C(SC)SC)(Cc1ccccc1)[H])=O)=O
SPLASH splash10-0006-0009000000-47bb0ae1d58fd22d1d84
Source of Spectrum J-65-7318-25
Synonyms (4S,5R)-1-[(2S)-2-[bis(methylthio)methylideneamino]-1-oxo-3-phenylpropyl]-3,4-dimethyl-5-phenyl-2-imidazolidinone (4S,5R)-1-[(2S)-2-[bis(methylsulfanyl)methylideneamino]-3-phenylpropanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (4S,5R)-1-[(2S)-2-[bis(methylsulfanyl)methyleneamino]-3-phenyl-propanoyl]-3,4-dimethyl-5-phenyl-imidazolidin-2-one (4S,5R)-1-[(2S)-2-[bis(methylsulfanyl)methylideneamino]-3-phenyl-propanoyl]-3,4-dimethyl-5-phenyl-imidazolidin-2-one
Wiley ID 1533646