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(S)-2-((R)-2-Amino-3,3,3-trifluoro-2-methyl-propionylamino)-propionic acid benzyl ester
SpectraBase Compound ID 9JsIoqG1wFQ
InChI InChI=1S/C14H17F3N2O3/c1-9(19-12(21)13(2,18)14(15,16)17)11(20)22-8-10-6-4-3-5-7-10/h3-7,9H,8,18H2,1-2H3,(H,19,21)/t9-,13+/m0/s1
InChIKey JSQZTANBQAEHPY-TVQRCGJNSA-N
Mol Weight 318.3 g/mol
Molecular Formula C14H17F3N2O3
Exact Mass 318.119127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70NIWSnC71I
Name (S)-2-((R)-2-Amino-3,3,3-trifluoro-2-methyl-propionylamino)-propionic acid benzyl ester
Alternate Name(s) N-[1'-(Benzyloxycarbonyl)ethyl]-2-(trifluoromethyl)-2-aminopropan-1-amide [R]-.alpha.-Trifluoromethyl-Alanine-L-Alanine-O-Benzyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3N2O3
InChI InChI=1S/C14H17F3N2O3/c1-9(19-12(21)13(2,18)14(15,16)17)11(20)22-8-10-6-4-3-5-7-10/h3-7,9H,8,18H2,1-2H3,(H,19,21)/t9-,13+/m0/s1
InChIKey JSQZTANBQAEHPY-TVQRCGJNSA-N
Molecular Weight 318.296 g/mol
SMILES N(C([C@](C(F)(F)F)(N)C)=O)[C@](C(OCc1ccccc1)=O)(C)[H]
SPLASH splash10-004i-0091000000-66a9991968e29c04841c
Source of Spectrum U1-2009-5722-[R,S)-10
Wiley ID 1697369