3-(Ethylamino)-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]-5-(2-Oxo-1-Pyrrolidinyl)Benzamide

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Properties Simple | Detailed

Formula C31H35F3N4O3
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Molecular Mass 568.630 g·mol−1
Heat of Formation -1043.7 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 628.77 Å 3
Surface Area 496.04 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethylamino-n-[(1s,2r)-2-hydroxy-1-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-5-(2-oxo-1-pyrrolidinyl)benzamide
  • 3-ethylamino-n-[(1s,2r)-2-hydroxy-1-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-5-(2-oxopyrrolidin-1-yl)benzamide
  • 3-ethylamino-n-[(2s,3r)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
  • n-[(1s,2r)-1-(benzyl)-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-ethylamino-5-(2-ketopyrrolidin-1-yl)benzamide
InChIKey QPGDTFHILHXFBQ-WUFINQPMSA-N
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