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5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-cetyl-valeramide
SpectraBase Compound ID GLG1T6lGw8x
InChI InChI=1S/C26H49N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24(30)19-16-15-18-23-25-22(21-32-23)28-26(31)29-25/h22-23,25H,2-21H2,1H3,(H,27,30)(H2,28,29,31)/t22-,23-,25-/m0/s1
InChIKey JSNCANZFYYVTCS-LSQMVHIFSA-N
Mol Weight 467.8 g/mol
Molecular Formula C26H49N3O2S
Exact Mass 467.354549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AXYkCxEsmy
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-cetyl-valeramide
Alternate Name(s) 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexadecyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexadecyl-pentanamide
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Formula C26H49N3O2S
InChI InChI=1S/C26H49N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24(30)19-16-15-18-23-25-22(21-32-23)28-26(31)29-25/h22-23,25H,2-21H2,1H3,(H,27,30)(H2,28,29,31)/t22-,23-,25-/m0/s1
InChIKey JSNCANZFYYVTCS-LSQMVHIFSA-N
Molecular Weight 467.757 g/mol
SMILES N1[C@@]2([C@](CCCCC(=O)NCCCCCCCCCCCCCCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-00kf-9100800000-42cc37e0b03b27ab500e
Source of Spectrum SK-27-2210-2
Wiley ID 867991