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3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
SpectraBase Compound ID A54lgFTbSYL
InChI InChI=1S/C22H22F3N3O3S/c1-13(2)15-9-10-16-17(12-15)32-20(26-16)28-21(19(30)31-3,22(23,24)25)27-18(29)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKey IAOZOGPLDBHVIB-UHFFFAOYSA-N
Mol Weight 465.49 g/mol
Molecular Formula C22H22F3N3O3S
Exact Mass 465.133397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LE6KDxpDmls
Name 3,3,3-trifluoro-2-[(1-oxo-2-phenylethyl)amino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F3N3O3S
InChI InChI=1S/C22H22F3N3O3S/c1-13(2)15-9-10-16-17(12-15)32-20(26-16)28-21(19(30)31-3,22(23,24)25)27-18(29)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKey IAOZOGPLDBHVIB-UHFFFAOYSA-N
Molecular Weight 465.491 g/mol
SMILES N(c1nc2ccc(cc2s1)C(C)C)C(C(F)(F)F)(NC(=O)Cc1ccccc1)C(=O)OC
SPLASH splash10-0006-9632200000-ca88545a6f913e8c3cd5
Synonyms 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-[(2-phenylacetyl)amino]propionic acid methyl ester Methyl 3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-[(2-phenylacetyl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-(2-phenylethanoylamino)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate
Wiley ID 1463514