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L-Phenylalanine, N-[N-[N2,N5-bis(trifluoroacetyl)-L-ornithyl]-O-(trifluoroacetyl)-D-allothreonyl]-, methyl ester
SpectraBase Compound ID 8jSfeSDix0x
InChI InChI=1S/C25H27F9N4O8/c1-12(46-22(44)25(32,33)34)16(18(40)36-15(19(41)45-2)11-13-7-4-3-5-8-13)38-17(39)14(37-21(43)24(29,30)31)9-6-10-35-20(42)23(26,27)28/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3,(H,35,42)(H,36,40)(H,37,43)(H,38,39)
InChIKey FJTCLAQZABVHOW-UHFFFAOYSA-N
Mol Weight 682.5 g/mol
Molecular Formula C25H27F9N4O8
Exact Mass 682.168517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU4dYTk4ntE
Name L-Phenylalanine, N-[N-[N2,N5-bis(trifluoroacetyl)-L-ornithyl]-O-(trifluoroacetyl)-D-allothreonyl]-, methyl ester
Alternate Name(s) Methyl 2-((2-((2,5-bis[(trifluoroacetyl)amino]pentanoyl)amino)-3-[(trifluoroacetyl)oxy]butanoyl)amino)-3-phenylpropanoate 2-[[1-oxo-2-[[1-oxo-2,5-bis[(2,2,2-trifluoro-1-oxoethyl)amino]pentyl]amino]-3-(2,2,2-trifluoro-1-oxoethoxy)butyl]amino]-3-phenylpropanoic acid methyl ester 2-[[2-[2,5-bis[(2,2,2-trifluoroacetyl)amino]pentanoylamino]-3-(2,2,2-trifluoroacetyl)oxy-butanoyl]amino]-3-phenyl-propionic acid methyl ester Methyl 2-[[2-[2,5-bis[(2,2,2-trifluoroacetyl)amino]pentanoylamino]-3-(2,2,2-trifluoroacetyl)oxy-butanoyl]amino]-3-phenyl-propanoate Methyl 2-[[2-[2,5-bis[2,2,2-tris(fluoranyl)ethanoylamino]pentanoylamino]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]butanoyl]amino]-3-phenyl-propanoate
CAS Registry Number 56772-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F9N4O8
InChI InChI=1S/C25H27F9N4O8/c1-12(46-22(44)25(32,33)34)16(18(40)36-15(19(41)45-2)11-13-7-4-3-5-8-13)38-17(39)14(37-21(43)24(29,30)31)9-6-10-35-20(42)23(26,27)28/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3,(H,35,42)(H,36,40)(H,37,43)(H,38,39)
InChIKey FJTCLAQZABVHOW-UHFFFAOYSA-N
Molecular Weight 682.497 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OC)C(C(C(C)OC(C(F)(F)F)=O)NC(C(CCCNC(C(F)(F)F)=O)NC(C(F)(F)F)=O)=O)=O
SPLASH splash10-0i04-9400000000-a9c7afb25098011e8ed9
Source of Spectrum EP-6496-0-0
Wiley ID 1414383