5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-undecyl-valeramide

SpectraBase Compound ID	zzsA2FzuoR
InChI	InChI=1S/C21H39N3O2S/c1-2-3-4-5-6-7-8-9-12-15-22-19(25)14-11-10-13-18-20-17(16-27-18)23-21(26)24-20/h17-18,20H,2-16H2,1H3,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChIKey	KFLDCXIISVVTBC-BJLQDIEVSA-N Google Search
Mol Weight	397.6 g/mol
Molecular Formula	C21H39N3O2S
Exact Mass	397.276299 g/mol

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SpectraBase Spectrum ID	8dxnfUzkA5O
Name	5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-undecyl-valeramide
Alternate Name(s)	5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-undecyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-undecyl-pentanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H39N3O2S
InChI	InChI=1S/C21H39N3O2S/c1-2-3-4-5-6-7-8-9-12-15-22-19(25)14-11-10-13-18-20-17(16-27-18)23-21(26)24-20/h17-18,20H,2-16H2,1H3,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChIKey	KFLDCXIISVVTBC-BJLQDIEVSA-N
Molecular Weight	397.622 g/mol
SMILES	N1[C@@]2([C@](CCCCC(=O)NCCCCCCCCCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH	splash10-00rj-4937000000-273772c5c61021946715
Source of Spectrum	SK-27-2210-4
Wiley ID	867989