Nalpha-[(4-Methyl-1-Piperazinyl)Carbonyl]-N-[(1E,3S)-5-Phenyl-1-(Phenylsulfonyl)-1-Penten-3-Yl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C32H38N4O4S
IUPAC Name n-[(1s)-2-[[(e,1s)-3-(benzenesulfonyl)-1-(2-phenylethyl)allyl]amino]-1-benzyl-2-oxo-ethyl]-4-methyl-piperazine-1-carboxamide
Molecular Mass 574.734 g·mol−1
Heat of Formation -370.2 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 717.83 Å 3
Surface Area 536.02 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-n-((s)-1-oxo-3-phenyl-1-((s,e)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide hydrochloride
  • 4-methyl-n-[(1s)-2-oxo-2-[[(e,1s)-1-(2-phenylethyl)-3-phenylsulfonyl-prop-2-enyl]amino]-1-(phenylmethyl)ethyl]piperazine-1-carboxamide
  • 4-methyl-n-[(1s)-2-oxo-2-[[(e,1s)-1-(2-phenylethyl)-3-phenylsulfonylprop-2-enyl]amino]-1-(phenylmethyl)ethyl]-1-piperazinecarboxamide
  • 4-methyl-n-[(2s)-1-oxo-3-phenyl-1-[[(e,3s)-5-phenyl-1-phenylsulfonyl-pent-1-en-3-yl]amino]propan-2-yl]piperazine-1-carboxamide
  • n-[(1s)-1-(benzyl)-2-keto-2-[[(e,1s)-1-(2-phenylethyl)-3-phenylsulfonyl-prop-2-enyl]amino]ethyl]-4-methyl-piperazine-1-carboxamide
InChIKey RHJLQMVZXQKJKB-FPHSVDBKSA-N
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