L-Phenylalanine, N-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-alanyl]-, methyl ester

SpectraBase Compound ID	827slZNrKhA
InChI	InChI=1S/C17H17F7N2O4/c1-9(25-14(29)15(18,19)16(20,21)17(22,23)24)12(27)26-11(13(28)30-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,25,29)(H,26,27)
InChIKey	ZWGDUVWUVVILGY-UHFFFAOYSA-N Google Search
Mol Weight	446.32 g/mol
Molecular Formula	C17H17F7N2O4
Exact Mass	446.107654 g/mol

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SpectraBase Spectrum ID	3KALFN0OW8S
Name	L-Phenylalanine, N-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-alanyl]-, methyl ester
Alternate Name(s)	Methyl 2-((2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]propanoyl)amino)-3-phenylpropanoate 2-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoylamino]-3-phenyl-propionic acid methyl ester 2-[[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester Methyl 2-[2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]propanoylamino]-3-phenyl-propanoate Methyl 2-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoylamino]-3-phenylpropanoate
CAS Registry Number	55401-56-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17F7N2O4
InChI	InChI=1S/C17H17F7N2O4/c1-9(25-14(29)15(18,19)16(20,21)17(22,23)24)12(27)26-11(13(28)30-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,25,29)(H,26,27)
InChIKey	ZWGDUVWUVVILGY-UHFFFAOYSA-N
Molecular Weight	446.322 g/mol
SMILES	N(C(Cc1ccccc1)C(=O)OC)C(C(C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O
SPLASH	splash10-03di-6910000000-eca26db06dbd2ea362e9
Source of Spectrum	T-67-3481-0
Wiley ID	60430