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

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L-Methionyl-L-methionine, N-heptafluorobutyryl-, butyl ester
SpectraBase Compound ID 5oIxDT226MT
InChI InChI=1S/C18H27F7N2O4S2/c1-4-5-8-31-14(29)12(7-10-33-3)26-13(28)11(6-9-32-2)27-15(30)16(19,20)17(21,22)18(23,24)25/h11-12H,4-10H2,1-3H3,(H,26,28)(H,27,30)
InChIKey WTQUSXVTKMWINQ-UHFFFAOYSA-N
Mol Weight 532.53 g/mol
Molecular Formula C18H27F7N2O4S2
Exact Mass 532.130047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhDkG1DlJ1X
Name L-Methionyl-L-methionine, N-heptafluorobutyryl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.130046842 u
Formula C18H27F7N2O4S2
InChI InChI=1S/C18H27F7N2O4S2/c1-4-5-8-31-14(29)12(7-10-33-3)26-13(28)11(6-9-32-2)27-15(30)16(19,20)17(21,22)18(23,24)25/h11-12H,4-10H2,1-3H3,(H,26,28)(H,27,30)
InChIKey WTQUSXVTKMWINQ-UHFFFAOYSA-N
Molecular Weight 532.533 g/mol
SMILES C(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O)(C(OCCCC)=O)CCSC