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Ethyl (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanoate

View entire compound with spectra: 1 MS (GC)

Ethyl (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanoate
SpectraBase Compound ID KsU7Qm2POG4
InChI InChI=1S/C20H27N3O4S2/c1-6-27-16(24)12-15(21-19(28-4)29-5)18(25)23-17(13(2)22(3)20(23)26)14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3/t13-,15-,17-/m0/s1
InChIKey GRKFGBJMBRPQFF-QRTARXTBSA-N
Mol Weight 437.57 g/mol
Molecular Formula C20H27N3O4S2
Exact Mass 437.144299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xGCj8Jd3iE
Name Ethyl (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O4S2
InChI InChI=1S/C20H27N3O4S2/c1-6-27-16(24)12-15(21-19(28-4)29-5)18(25)23-17(13(2)22(3)20(23)26)14-10-8-7-9-11-14/h7-11,13,15,17H,6,12H2,1-5H3/t13-,15-,17-/m0/s1
InChIKey GRKFGBJMBRPQFF-QRTARXTBSA-N
Molecular Weight 437.573 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(c1ccccc1)[H])C([C@@](N=C(SC)SC)(CC(=O)OCC)[H])=O)=O
SPLASH splash10-000i-0009000000-6845e8e25fc0d8d16ff4
Source of Spectrum J-65-7318-25
Wiley ID 1533643