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(S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-hexanoic acid benzyl ester
SpectraBase Compound ID 9Vf9ALn89zF
InChI InChI=1S/C19H25F3N2O3/c1-2-3-10-15(16(25)27-13-14-8-5-4-6-9-14)24-17(26)18(19(20,21)22)11-7-12-23-18/h4-6,8-9,15,23H,2-3,7,10-13H2,1H3,(H,24,26)/t15-,18-/m0/s1
InChIKey GQQSKDAMLPTUHG-YJBOKZPZSA-N
Mol Weight 386.42 g/mol
Molecular Formula C19H25F3N2O3
Exact Mass 386.181727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqaaynKKtn9
Name (S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-hexanoic acid benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C19H25F3N2O3
InChI InChI=1S/C19H25F3N2O3/c1-2-3-10-15(16(25)27-13-14-8-5-4-6-9-14)24-17(26)18(19(20,21)22)11-7-12-23-18/h4-6,8-9,15,23H,2-3,7,10-13H2,1H3,(H,24,26)/t15-,18-/m0/s1
InChIKey GQQSKDAMLPTUHG-YJBOKZPZSA-N
Molecular Weight 386.415 g/mol
SMILES N(C([C@@]1(C(F)(F)F)NCCC1)=O)[C@](C(OCc1ccccc1)=O)(CCCC)[H]
SPLASH splash10-000i-0902000000-7c56f224507ac2d9acac
Source of Spectrum U1-2009-5722-(S,S)-6
Synonyms N-[1'-(Benzyloxycarbonyl)pentyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide [R]-.alpha.-Trifluoromethyl-Proline-L-Leucine-O-Benzyl
Wiley ID 1697290