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L-Methionyl-L-methionine, N-pentafluoropropionyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Methionyl-L-methionine, N-pentafluoropropionyl-, butyl ester
SpectraBase Compound ID FAnwyk33Cd1
InChI InChI=1S/C17H27F5N2O4S2/c1-4-5-8-28-14(26)12(7-10-30-3)23-13(25)11(6-9-29-2)24-15(27)16(18,19)17(20,21)22/h11-12H,4-10H2,1-3H3,(H,23,25)(H,24,27)
InChIKey SHGKBWPJYDKWPW-UHFFFAOYSA-N
Mol Weight 482.53 g/mol
Molecular Formula C17H27F5N2O4S2
Exact Mass 482.133241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9dw2a2yqan
Name L-Methionyl-L-methionine, N-pentafluoropropionyl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.133240516 u
Formula C17H27F5N2O4S2
InChI InChI=1S/C17H27F5N2O4S2/c1-4-5-8-28-14(26)12(7-10-30-3)23-13(25)11(6-9-29-2)24-15(27)16(18,19)17(20,21)22/h11-12H,4-10H2,1-3H3,(H,23,25)(H,24,27)
InChIKey SHGKBWPJYDKWPW-UHFFFAOYSA-N
Molecular Weight 482.525 g/mol
SMILES CCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O)CCSC)=O