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2-{N-[N'-[1-(hydroxyaminocarbonyl)ethyl]amino-1,1,1-trifluoro-3-aminocarbonylpropyl]amino}-3-methylbutanoic acid
SpectraBase Compound ID 2Lr30LkODf0
InChI InChI=1S/C12H20F3N3O5/c1-6(2)10(11(21)18-22)17-7(12(13,14)15)4-8(19)16-5-9(20)23-3/h6-7,10,17,22H,4-5H2,1-3H3,(H,16,19)(H,18,21)/t7?,10-/m0/s1
InChIKey FMDNTWTZYRCNII-MHPPCMCBSA-N
Mol Weight 343.3 g/mol
Molecular Formula C12H20F3N3O5
Exact Mass 343.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oXWIueckO
Name 2-{N-[N'-[1-(hydroxyaminocarbonyl)ethyl]amino-1,1,1-trifluoro-3-aminocarbonylpropyl]amino}-3-methylbutanoic acid
Alternate Name(s) methyl {[4,4,4-trifluoro-3-({(1S)-1-[(hydroxyamino)carbonyl]-2-methylpropyl}amino)butanoyl]amino}acetate
Comments Less than 3 mono-isotopic peaks
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Formula C12H20F3N3O5
InChI InChI=1S/C12H20F3N3O5/c1-6(2)10(11(21)18-22)17-7(12(13,14)15)4-8(19)16-5-9(20)23-3/h6-7,10,17,22H,4-5H2,1-3H3,(H,16,19)(H,18,21)/t7?,10-/m0/s1
InChIKey FMDNTWTZYRCNII-MHPPCMCBSA-N
Molecular Weight 343.303 g/mol
SMILES N(C(CC(NCC(=O)OC)=O)C(F)(F)F)[C@](C(=O)NO)(C(C)C)[H]
SPLASH splash10-03dl-0095000000-c870dffb984f4a6012ee
Source of Spectrum K1-2002-435-7
Wiley ID 1522010