5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-undec-10-ynyl-valeramide

SpectraBase Compound ID	1gDDY9g8i5B
InChI	InChI=1S/C21H35N3O2S/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/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChIKey	LSRZBXDPFPXICH-BJLQDIEVSA-N Google Search
Mol Weight	393.6 g/mol
Molecular Formula	C21H35N3O2S
Exact Mass	393.244999 g/mol

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SpectraBase Spectrum ID	3YxR1PBeLUc
Name	5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-undec-10-ynyl-valeramide
Alternate Name(s)	5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-undec-10-ynyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-undec-10-ynyl-pentanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H35N3O2S
InChI	InChI=1S/C21H35N3O2S/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/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChIKey	LSRZBXDPFPXICH-BJLQDIEVSA-N
Molecular Weight	393.590 g/mol
SMILES	N1[C@@]2([C@](CCCCC(=O)NCCCCCCCCCC#C)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH	splash10-03di-0902000000-e752866cf8eb61e26d51
Source of Spectrum	F-53-1518-14
Wiley ID	800249