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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
Mol Weight 355.31 g/mol
Molecular Formula C13H20F3N3O5
Exact Mass 355.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBt4xWtU3PC
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 splash10-002g-9740000000-4a155b5f0f120a9d963c
Source of Spectrum KZ-181-479-20
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 1345103