Nalpha-{[4-(4-Morpholinyl)-1-Piperidinyl]Carbonyl}-N-[(1E,3S)-1-(Phenylsulfonyl)-1-Hexen-3-Yl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C31H42N4O5S
IUPAC Name n-[(1s)-2-[[(1s)-1-[(e)-2-(benzenesulfonyl)vinyl]butyl]amino]-1-benzyl-2-oxo-ethyl]-4-morpholino-piperidine-1-carboxamide
Molecular Mass 582.754 g·mol−1
Heat of Formation -705.5 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 709.94 Å 3
Surface Area 567.72 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-morpholin-4-yl-n-[(2s)-1-oxo-3-phenyl-1-[[(e,3s)-1-phenylsulfonylhex-1-en-3-yl]amino]propan-2-yl]piperidine-1-carboxamide
  • 4-morpholino-n-[(1s)-2-oxo-1-(phenylmethyl)-2-[[(1s)-1-[(e)-2-phenylsulfonylvinyl]butyl]amino]ethyl]-1-piperidinecarboxamide
  • 4-morpholino-n-[(1s)-2-oxo-1-(phenylmethyl)-2-[[(1s)-1-[(e)-2-phenylsulfonylvinyl]butyl]amino]ethyl]piperidine-1-carboxamide
  • n-[(1s)-1-(benzyl)-2-keto-2-[[(e,1s)-3-phenylsulfonyl-1-propyl-prop-2-enyl]amino]ethyl]-4-morpholino-piperidine-1-carboxamide
InChIKey OFBHNKJTHNHXQT-NDBKYUKGSA-N
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