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N-Tfa-L-prolylmethionine butyl ester
SpectraBase Compound ID EgNUfmy5sUo
InChI InChI=1S/C16H25F3N2O4S/c1-3-4-9-25-14(23)11(7-10-26-2)20-13(22)12-6-5-8-21(12)15(24)16(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,22)/t11-,12-/m0/s1
InChIKey XHQZRABUZAXGDN-RYUDHWBXSA-N
Mol Weight 398.44 g/mol
Molecular Formula C16H25F3N2O4S
Exact Mass 398.148713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGsnerYYp0g
Name N-Tfa-L-prolylmethionine butyl ester
CAS Registry Number 63085-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25F3N2O4S
InChI InChI=1S/C16H25F3N2O4S/c1-3-4-9-25-14(23)11(7-10-26-2)20-13(22)12-6-5-8-21(12)15(24)16(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,22)/t11-,12-/m0/s1
InChIKey XHQZRABUZAXGDN-RYUDHWBXSA-N
Molecular Weight 398.441 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(CCSC)[H]
SPLASH splash10-016r-8932000000-038a1ce6f0de74aca783
Source of Spectrum W5-1989-9626-1
Synonyms Butyl (2S)-4-(methylsulfanyl)-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanoate
Wiley ID 1368167