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METHYL-ALANYLVALYLVALINE-TRIFLUOROACETATE
SpectraBase Compound ID KpMIfU0g7SI
InChI InChI=1S/C14H27N3O4.C2HF3O2/c1-7(2)10(16-12(18)9(5)15)13(19)17-11(8(3)4)14(20)21-6;3-2(4,5)1(6)7/h7-11H,15H2,1-6H3,(H,16,18)(H,17,19);(H,6,7)/t9-,10-,11-;/m0./s1
InChIKey FCGUGMRPAIGHKK-AELSBENASA-N
Mol Weight 415.41 g/mol
Molecular Formula C16H28F3N3O6
Exact Mass 415.19302 g/mol
Parent InChIKey GEXOFNWTHNRJOJ-DCAQKATOSA-N
Enantiomer InChIKey FCGUGMRPAIGHKK-QZXXHOLOSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCOOH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent H2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH2ClCH2OH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
Title Journal or Book Year
15N NMR spectroscopy. 30—structure/shift relationships of oligopeptides and copolypeptides, including gramicidin S Organic Magnetic Resonance 1981

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