3-Benzoyl-N-[(2S,3R)-4-(Cyclopropylamino)-3-Hydroxy-1-Phenyl-2-Butanyl]-5-[Methyl(Methylsulfonyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C29H33N3O5S
IUPAC Name 3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxy-propyl]-5-[methyl(methylsulfonyl)amino]benzamide
Molecular Mass 535.654 g·mol−1
Heat of Formation -519.6 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 649.94 Å 3
Surface Area 503.6 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(benzoyl)-n-[(1s,2r)-1-(benzyl)-3-(cyclopropylamino)-2-hydroxy-propyl]-5-(mesyl-methyl-amino)benzamide
  • 3-(benzoyl)-n-[(1s,2r)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-(methyl-methylsulfonyl-amino)benzamide
  • 3-(benzoyl)-n-[(2s,3r)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(methyl-methylsulfonylamino)benzamide
  • 3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide
  • 3bn
  • n-[(1s,2r)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-3-(methyl-methylsulfonylamino)-5-(oxo-phenylmethyl)benzamide
  • n-[(2s,3r)-4-(cyclopropylamino)-3-hydroxy-1-phenyl-butan-2-yl]-3-(methyl-methylsulfonyl-amino)-5-phenylcarbonyl-benzamide
InChIKey WCVRLSCSQDAERN-RRPNLBNLSA-N
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