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.Gamma.-glutamyl-(S)-allyl-L-cysteine, N-(N-propyloxycarbonyl)-, dimethyl ester
SpectraBase Compound ID EtJwbkQm532
InChI InChI=1S/C17H28N2O7S/c1-5-9-26-17(23)19-12(15(21)24-3)7-8-14(20)18-13(16(22)25-4)11-27-10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3,(H,18,20)(H,19,23)
InChIKey PMMMIERMMUZRAZ-UHFFFAOYSA-N
Mol Weight 404.48 g/mol
Molecular Formula C17H28N2O7S
Exact Mass 404.161722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9rqCjxD6xt
Name .Gamma.-glutamyl-(S)-allyl-L-cysteine, N-(N-propyloxycarbonyl)-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.161722417 u
Formula C17H28N2O7S
InChI InChI=1S/C17H28N2O7S/c1-5-9-26-17(23)19-12(15(21)24-3)7-8-14(20)18-13(16(22)25-4)11-27-10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3,(H,18,20)(H,19,23)
InChIKey PMMMIERMMUZRAZ-UHFFFAOYSA-N
Molecular Weight 404.478 g/mol
SMILES C(SCC=C)C(C(OC)=O)NC(=O)CCC(C(OC)=O)NC(OCCC)=O