N-(Tert-Butoxycarbonyl)-L-α-Glutamyl-N-[(2S)-1-Carboxy-4,4-Difluoro-1-Oxobutan-2-Yl]-L-Leucinamide

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Properties Simple | Detailed

Formula C21H33F2N3O9
IUPAC Name (3s)-3-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-4-carboxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-oxo-pentanoic acid
Molecular Mass 509.498 g·mol−1
Heat of Formation -2279.7 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 604.2 Å 3
Surface Area 507.95 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-((2s)-2-{(2s)-2-[(tert-butoxy)carbonylamino]-4-carboxybutanoylamino}-4-methylpentanoylamino)-5,5-difluoro-2-oxopentanoic acid
  • (3s)-3-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-keto-valeric acid
  • (3s)-3-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-oxo-pentanoic acid
  • (3s)-3-[[(2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5,5-difluoro-2-oxopentanoic acid
  • (3s)-5,5-difluoro-3-[[(2s)-2-[[(2s)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-pentanoic acid
  • (3s)-5,5-difluoro-3-[[(2s)-2-[[(2s)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-2-oxopentanoic acid
  • .alpha.-ketoacid-t-boc-glu-leu-(difluoro)aminobutyric acid
InChIKey WXVMZATZAOHPFR-AVGNSLFASA-N
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