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D-6-(5-AMINO-5-CARBOXYVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID

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D-6-(5-AMINO-5-CARBOXYVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
SpectraBase Compound ID 96gFlXEaDl3
InChI InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)
InChIKey MIFYHUACUWQUKT-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C14H21N3O6S
Exact Mass 359.115107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9juE4XzIh0C
Name D-6-(5-AMINO-5-CARBOXYVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Source of Sample H. Kluender, C. H. Bradley J. Amer. Chem. Soc. 95, 6149(1973)
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21N3O6S
InChI InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)
InChIKey MIFYHUACUWQUKT-UHFFFAOYSA-N
Molecular Weight 359.40
Solvent Water; Reference=Dioxane; Temperature=Ambient Spectrometer= Bruker HX-90