N~2~-(4-Morpholinylcarbonyl)-N-[1-Phenyl-5-(Phenylsulfonyl)-3-Pentanyl]Leucinamide

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Formula C28H39N3O5S
IUPAC Name n-[(1s)-1-[[(1s)-1-[2-(benzenesulfonyl)ethyl]-3-phenyl-propyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide
Molecular Mass 529.691 g·mol−1
Heat of Formation -846.7 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 669.7 Å 3
Surface Area 493.3 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-3-methyl-1-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonyl-propyl]carbamoyl]butyl]morpholine-4-carboxamide
  • n-[(1s)-3-methyl-1-[oxo-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonylpropyl]amino]methyl]butyl]-4-morpholinecarboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(3s)-1-phenyl-5-phenylsulfonyl-pentan-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(3s)-1-phenyl-5-phenylsulfonylpentan-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide
InChIKey IHIAYQGDASIWGA-AHWVRZQESA-N
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