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N-trifluoroacetylvalyl-.alpha.-aminoisobutyl-.alpha.-aminoisobutyric acid n-butyl ester
SpectraBase Compound ID KtsMC2yINnn
InChI InChI=1S/C19H32F3N3O5/c1-8-9-10-30-16(29)17(6,7)24-14(27)18(12(4)5,23-13(26)11(2)3)25-15(28)19(20,21)22/h11-12H,8-10H2,1-7H3,(H,23,26)(H,24,27)(H,25,28)
InChIKey XEPIANPQRRIDKO-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C19H32F3N3O5
Exact Mass 439.229406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyqooGukKN1
Name N-trifluoroacetylvalyl-.alpha.-aminoisobutyl-.alpha.-aminoisobutyric acid n-butyl ester
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Formula C19H32F3N3O5
InChI InChI=1S/C19H32F3N3O5/c1-8-9-10-30-16(29)17(6,7)24-14(27)18(12(4)5,23-13(26)11(2)3)25-15(28)19(20,21)22/h11-12H,8-10H2,1-7H3,(H,23,26)(H,24,27)(H,25,28)
InChIKey XEPIANPQRRIDKO-UHFFFAOYSA-N
Molecular Weight 439.476 g/mol
SMILES N(C(C(NC(C(=O)OCCCC)(C)C)=O)(NC(=O)C(C)C)C(C)C)C(C(F)(F)F)=O
SPLASH splash10-0gb9-0960000000-1392bf6a52ac2752dd4c
Source of Spectrum C-99-8476-8
Synonyms Butyl 2-({2-(isobutyrylamino)-3-methyl-2-[(trifluoroacetyl)amino]butanoyl}amino)-2-methylpropanoate
Wiley ID 1384380