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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
SpectraBase Compound ID 7llzkQJbUOx
InChI InChI=1S/C14H13F4N3O3S/c1-3-10(22)20-13(11(23)24-2,14(16,17)18)21-12-19-8-5-4-7(15)6-9(8)25-12/h4-6H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKey SGLTVTDKXOXIPA-UHFFFAOYSA-N
Mol Weight 379.33 g/mol
Molecular Formula C14H13F4N3O3S
Exact Mass 379.061375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6htfhZkBmJ
Name 3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
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Formula C14H13F4N3O3S
InChI InChI=1S/C14H13F4N3O3S/c1-3-10(22)20-13(11(23)24-2,14(16,17)18)21-12-19-8-5-4-7(15)6-9(8)25-12/h4-6H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKey SGLTVTDKXOXIPA-UHFFFAOYSA-N
Molecular Weight 379.330 g/mol
SMILES N(c1nc2ccc(cc2s1)F)C(C(F)(F)F)(NC(=O)CC)C(=O)OC
SPLASH splash10-0900-2798000000-5d070b225c7c2a9994aa
Synonyms 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(1-oxopropylamino)propanoic acid methyl ester 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-propionamido-propionic acid methyl ester Methyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate
Wiley ID 1465694