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2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester
SpectraBase Compound ID 4jedLDT4vBo
InChI InChI=1S/C19H26F3N3O4S/c1-3-5-10-13(26)24-18(19(20,21)22,17(28)29-4-2)25-16-14(15(23)27)11-8-6-7-9-12(11)30-16/h25H,3-10H2,1-2H3,(H2,23,27)(H,24,26)
InChIKey OQKARIMHVKBIOW-UHFFFAOYSA-N
Mol Weight 449.49 g/mol
Molecular Formula C19H26F3N3O4S
Exact Mass 449.159612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OhS5Cf4cOU
Name 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester
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Formula C19H26F3N3O4S
InChI InChI=1S/C19H26F3N3O4S/c1-3-5-10-13(26)24-18(19(20,21)22,17(28)29-4-2)25-16-14(15(23)27)11-8-6-7-9-12(11)30-16/h25H,3-10H2,1-2H3,(H2,23,27)(H,24,26)
InChIKey OQKARIMHVKBIOW-UHFFFAOYSA-N
Molecular Weight 449.489 g/mol
SMILES N(c1c(C(=O)N)c2CCCCc2s1)C(C(F)(F)F)(NC(=O)CCCC)C(=O)OCC
SPLASH splash10-056r-9450000000-f020126c1aa05402bdbd
Synonyms 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester Ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-(pentanoylamino)propanoate
Wiley ID 1458911