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

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L-Methionyl-L-methionine, N-heptafluorobutyryl-, pentyl ester
SpectraBase Compound ID 8obxbBMF95U
InChI InChI=1S/C19H29F7N2O4S2/c1-4-5-6-9-32-15(30)13(8-11-34-3)27-14(29)12(7-10-33-2)28-16(31)17(20,21)18(22,23)19(24,25)26/h12-13H,4-11H2,1-3H3,(H,27,29)(H,28,31)
InChIKey ALECNXNWJGRPCE-UHFFFAOYSA-N
Mol Weight 546.56 g/mol
Molecular Formula C19H29F7N2O4S2
Exact Mass 546.145697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSkXzTM8afC
Name L-Methionyl-L-methionine, N-heptafluorobutyryl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.145696907 u
Formula C19H29F7N2O4S2
InChI InChI=1S/C19H29F7N2O4S2/c1-4-5-6-9-32-15(30)13(8-11-34-3)27-14(29)12(7-10-33-2)28-16(31)17(20,21)18(22,23)19(24,25)26/h12-13H,4-11H2,1-3H3,(H,27,29)(H,28,31)
InChIKey ALECNXNWJGRPCE-UHFFFAOYSA-N
Molecular Weight 546.560 g/mol
SMILES C(CC(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O)C(OCCCCC)=O)SC