N-[(5S)-5-Amino-5-Carboxypentanoyl]-L-Cysteinyl-4,4,4,4',4',4'-Hexafluoro-L-Valine

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Properties Simple | Detailed

Formula C14H19F6N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(1s)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 471.373 g·mol−1
Heat of Formation -2526.3 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 478.08 Å 3
Surface Area 392.9 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-2-[[(1s)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1s)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1s)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-oxo-6-[[(2r)-1-oxo-3-sulfanyl-1-[[(2s)-4,4,4-trifluoro-1-hydroxy-1-oxo-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]hexanoic acid
  • delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3' -hexafluorovaline
  • hfv
InChIKey IPFVQRRDLLEXCD-HAFWLYHUSA-N
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