N-[4-(4-Morpholinylcarbonyl)Benzoyl]-L-Valyl-N-[(3S)-5,5,6,6,6-Pentafluoro-2-Methyl-4-Oxo-3-Hexanyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C29H37F5N4O6
IUPAC Name (2s)-1-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl]pyrrolidine-2-carboxamide
Molecular Mass 632.619 g·mol−1
Heat of Formation -2107.1 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 727.85 Å 3
Surface Area 573.79 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-3-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbonylamino]butanoyl]-n-[(3s)-5,5,6,6,6-pentafluoro-2-methyl-4-oxo-hexan-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-isopropyl-2-keto-butyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-n-[(3s)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-methyl-2-[[[4-(morpholino-oxomethyl)phenyl]-oxomethyl]amino]-1-oxobutyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxobutyl]-2-pyrrolidinecarboxamide
  • 1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
  • mdl 101,146
InChIKey XQAMVCHQGHAELT-FKBYEOEOSA-N
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