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

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L-Methionyl-L-methionine, N-pentafluoropropionyl-, pentyl ester
SpectraBase Compound ID G6YCDlrsRXV
InChI InChI=1S/C18H29F5N2O4S2/c1-4-5-6-9-29-15(27)13(8-11-31-3)24-14(26)12(7-10-30-2)25-16(28)17(19,20)18(21,22)23/h12-13H,4-11H2,1-3H3,(H,24,26)(H,25,28)
InChIKey XHNAJBNEWIFKJH-UHFFFAOYSA-N
Mol Weight 496.55 g/mol
Molecular Formula C18H29F5N2O4S2
Exact Mass 496.148891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57H1uSSLXPc
Name L-Methionyl-L-methionine, N-pentafluoropropionyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.148890581 u
Formula C18H29F5N2O4S2
InChI InChI=1S/C18H29F5N2O4S2/c1-4-5-6-9-29-15(27)13(8-11-31-3)24-14(26)12(7-10-30-2)25-16(28)17(19,20)18(21,22)23/h12-13H,4-11H2,1-3H3,(H,24,26)(H,25,28)
InChIKey XHNAJBNEWIFKJH-UHFFFAOYSA-N
Molecular Weight 496.552 g/mol
SMILES CCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O)CCSC)=O