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alanine, 3,3,3-trifluoro-N-phenyl-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID KKi80bZGOAb
InChI InChI=1S/C18H15F6N3O4/c1-30-14(28)16(17(19,20)21,26-12-5-3-2-4-6-12)27-15(29)25-11-7-9-13(10-8-11)31-18(22,23)24/h2-10,26H,1H3,(H2,25,27,29)
InChIKey KNPBQBVYSPGTJH-UHFFFAOYSA-N
Mol Weight 451.33 g/mol
Molecular Formula C18H15F6N3O4
Exact Mass 451.096675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sw7sbOzrQN
Name 2-Anilino-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propionic acid methyl ester
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Formula C18H15F6N3O4
InChI InChI=1S/C18H15F6N3O4/c1-30-14(28)16(17(19,20)21,26-12-5-3-2-4-6-12)27-15(29)25-11-7-9-13(10-8-11)31-18(22,23)24/h2-10,26H,1H3,(H2,25,27,29)
InChIKey KNPBQBVYSPGTJH-UHFFFAOYSA-N
Molecular Weight 451.325 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OC)Nc1ccccc1)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-004u-9600000000-ce8da301370d548e8c90
Synonyms 2-Anilino-3,3,3-trifluoro-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]propanoic acid methyl ester Methyl 2-anilino-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-phenylazanyl-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]propanoate
Wiley ID 1436839