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

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5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-propyl-valeramide
SpectraBase Compound ID HHafvoZNIfW
InChI InChI=1S/C13H23N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey TULLSVIZKKYXJY-NHCYSSNCSA-N
Mol Weight 285.41 g/mol
Molecular Formula C13H23N3O2S
Exact Mass 285.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zRlRG5cqe4
Name 5-[(3as,4S,6ar)-2-Keto-1,3,3A,4,6,6A-hexahydrothien[3,4-D]imidazol-4-yl]-N-propyl-valeramide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.151098165 u
Formula C13H23N3O2S
InChI InChI=1S/C13H23N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey TULLSVIZKKYXJY-NHCYSSNCSA-N
SMILES C1(N[C@@]2([C@](CCCCC(=O)NCCC)(SC[C@@]2(N1)[H])[H])[H])=O