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

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Properties Simple | Detailed

Formula C28H40N4O4S
IUPAC Name n-[(1s)-1-[[(1s)-1-[2-(benzenesulfonyl)ethyl]-3-phenyl-propyl]carbamoyl]-3-methyl-butyl]piperazine-1-carboxamide
Molecular Mass 528.707 g·mol−1
Heat of Formation -667.7 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 679.23 Å 3
Surface Area 509.41 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-3-methyl-1-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonyl-propyl]carbamoyl]butyl]piperazine-1-carboxamide
  • n-[(1s)-3-methyl-1-[oxo-[[(1s)-1-(2-phenylethyl)-3-phenylsulfonylpropyl]amino]methyl]butyl]-1-piperazinecarboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(3s)-1-phenyl-5-phenylsulfonyl-pentan-3-yl]amino]pentan-2-yl]piperazine-1-carboxamide
  • n-[(2s)-4-methyl-1-oxo-1-[[(3s)-1-phenyl-5-phenylsulfonylpentan-3-yl]amino]pentan-2-yl]piperazine-1-carboxamide
InChIKey GZQYXFWTRHRNKT-AHWVRZQESA-N
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