N-[(2S)-2-Acetamidopropanoyl]-1-{(3S)-5,5-Difluoro-2-Methyl-4,6-Dioxo-6-[(2-Phenylethyl)Amino]-3-Hexanyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C25H34F2N4O5
IUPAC Name (1s,2s)-n-[(2s)-2-acetamidopropanoyl]-1-[(1s)-3,3-difluoro-1-isopropyl-2,4-dioxo-4-(2-phenylethylamino)butyl]pyrrolidine-2-carboxamide
Molecular Mass 508.558 g·mol−1
Heat of Formation -1293.6 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 630.92 Å 3
Surface Area 474.14 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-acetamido-1-oxopropyl]-1-[(1s)-3,3-difluoro-1-isopropyl-2,4-dioxo-4-(2-phenylethylamino)butyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-2-acetamidopropanoyl]-1-[(1s)-3,3-difluoro-1-isopropyl-2,4-diketo-4-(2-phenylethylamino)butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-acetamidopropanoyl]-1-[(1s)-3,3-difluoro-1-isopropyl-2,4-dioxo-4-(2-phenylethylamino)butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-acetamidopropanoyl]-1-[(3s)-5,5-difluoro-2-methyl-4,6-dioxo-6-(2-phenylethylamino)hexan-3-yl]pyrrolidine-2-carboxamide
  • dfki
  • l 708286
  • l-708286
  • l-prolinamide, n-acetyl-l-alanyl-n-(3,3-difluoro-1-(1-methylethyl)-2,4-dioxo-4-((2-phenylethyl)amino)butyl)-, (s)-
  • l708286
CAS Number(s)
  • 119720-81-9
InChIKey XFZRMGMOPXARLP-VDGAXYAQSA-N
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