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Ethyl 3-(2-amino-4-iodo-1H-imidazol-5-yl)-2-[(trifluoroacetyl)amino]propanoate
SpectraBase Compound ID A5pyUB6pDQQ
InChI InChI=1S/C10H12F3IN4O3/c1-2-21-7(19)5(16-8(20)10(11,12)13)3-4-6(14)18-9(15)17-4/h5H,2-3H2,1H3,(H,16,20)(H3,15,17,18)
InChIKey FTQGHDNSSXXUGX-UHFFFAOYSA-N
Mol Weight 420.13 g/mol
Molecular Formula C10H12F3IN4O3
Exact Mass 419.99062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7XjoVNu2mB
Name Ethyl 3-(2-amino-4-iodo-1H-imidazol-5-yl)-2-[(trifluoroacetyl)amino]propanoate
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Formula C10H12F3IN4O3
InChI InChI=1S/C10H12F3IN4O3/c1-2-21-7(19)5(16-8(20)10(11,12)13)3-4-6(14)18-9(15)17-4/h5H,2-3H2,1H3,(H,16,20)(H3,15,17,18)
InChIKey FTQGHDNSSXXUGX-UHFFFAOYSA-N
Molecular Weight 420.131 g/mol
SMILES [nH]1c(nc(c1CC(NC(=O)C(F)(F)F)C(OCC)=O)I)N
SPLASH splash10-0v0r-9222000000-81223833df2795199e5a
Source of Spectrum NP-14-8603-0
Synonyms Histidine, 2-amino-N-trifluoroacetyl-4-iodo-, ethyl(ester) 3-(2-amino-4-iodo-1H-imidazol-5-yl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid ethyl ester Ethyl 3-(2-amino-4-iodo-1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Ethyl 3-(2-azanyl-4-iodanyl-1H-imidazol-5-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 1112045