L-Alanine, N-[N-[N-(trifluoroacetyl)-L-valyl]glycyl]-, methyl ester

SpectraBase Compound ID	5A5RbgiZVQ9
InChI	InChI=1S/C13H20F3N3O5/c1-6(2)9(19-12(23)13(14,15)16)10(21)17-5-8(20)18-7(3)11(22)24-4/h6-7,9H,5H2,1-4H3,(H,17,21)(H,18,20)(H,19,23)
InChIKey	JLQDRCNBSJTKSC-UHFFFAOYSA-N Google Search
Mol Weight	355.31 g/mol
Molecular Formula	C13H20F3N3O5
Exact Mass	355.135505 g/mol

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SpectraBase Spectrum ID	7DYu5S64PaU
Name	L-Alanine, N-[N-[N-(trifluoroacetyl)-L-valyl]glycyl]-, methyl ester
CAS Registry Number	55191-31-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H20F3N3O5
InChI	InChI=1S/C13H20F3N3O5/c1-6(2)9(19-12(23)13(14,15)16)10(21)17-5-8(20)18-7(3)11(22)24-4/h6-7,9H,5H2,1-4H3,(H,17,21)(H,18,20)(H,19,23)
InChIKey	JLQDRCNBSJTKSC-UHFFFAOYSA-N
Molecular Weight	355.314 g/mol
SMILES	N(C(C(NCC(NC(C(OC)=O)C)=O)=O)C(C)C)C(C(F)(F)F)=O
SPLASH	splash10-0007-9530000000-e9ce4b04f2918177b00b
Source of Spectrum	DB-0-26-4
Synonyms	Methyl 2-([((3-methyl-2-[(trifluoroacetyl)amino]butanoyl)amino)acetyl]amino)propanoate 2-[[2-[[3-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester 2-[[2-[[3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]acetyl]amino]propionic acid methyl ester Methyl 2-[2-[[3-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]ethanoylamino]propanoate Methyl 2-[[2-[[3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]acetyl]amino]propanoate
Wiley ID	52579