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

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tert-Butyl (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanoate
SpectraBase Compound ID 3H7PHpWzZl6
InChI InChI=1S/C22H31N3O4S2/c1-14-18(15-11-9-8-10-12-15)25(21(28)24(14)5)19(27)16(23-20(30-6)31-7)13-17(26)29-22(2,3)4/h8-12,14,16,18H,13H2,1-7H3/t14-,16-,18-/m0/s1
InChIKey APUNDTRVGVCJQV-ZVZYQTTQSA-N
Mol Weight 465.63 g/mol
Molecular Formula C22H31N3O4S2
Exact Mass 465.175599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1N2ViuWXaz
Name tert-Butyl (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 C22H31N3O4S2
InChI InChI=1S/C22H31N3O4S2/c1-14-18(15-11-9-8-10-12-15)25(21(28)24(14)5)19(27)16(23-20(30-6)31-7)13-17(26)29-22(2,3)4/h8-12,14,16,18H,13H2,1-7H3/t14-,16-,18-/m0/s1
InChIKey APUNDTRVGVCJQV-ZVZYQTTQSA-N
Molecular Weight 465.627 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(c1ccccc1)[H])C([C@@](N=C(SC)SC)(CC(OC(C)(C)C)=O)[H])=O)=O
SPLASH splash10-03di-0009000000-9e5624541e01fe8d738b
Source of Spectrum J-65-7318-25
Wiley ID 1533644