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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester
SpectraBase Compound ID 5BOA1mXPaE6
InChI InChI=1S/C17H19F4N3O3S/c1-3-5-6-13(25)23-16(17(19,20)21,14(26)27-4-2)24-15-22-11-8-7-10(18)9-12(11)28-15/h7-9H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey LXCHKJVKUPIUAL-UHFFFAOYSA-N
Mol Weight 421.41 g/mol
Molecular Formula C17H19F4N3O3S
Exact Mass 421.108325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8Sg9ze3d7Z
Name 3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(1-oxopentylamino)propanoic acid ethyl ester 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(valerylamino)propionic acid ethyl ester Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
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Formula C17H19F4N3O3S
InChI InChI=1S/C17H19F4N3O3S/c1-3-5-6-13(25)23-16(17(19,20)21,14(26)27-4-2)24-15-22-11-8-7-10(18)9-12(11)28-15/h7-9H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey LXCHKJVKUPIUAL-UHFFFAOYSA-N
Molecular Weight 421.411 g/mol
SMILES N(c1nc2ccc(cc2s1)F)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC
SPLASH splash10-03xr-2693100000-9de3b1ed6123c9d06c90
Wiley ID 1462812