Nalpha-[(Benzyloxy)Carbonyl]-N-[(2S,3E)-5,6-Dioxo-3-Hexen-2-Yl]-D-Phenylalaninamide

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Properties Simple | Detailed

Formula C23H24N2O5
IUPAC Name benzyl n-[(1r)-1-benzyl-2-[[(e,1s)-1-methyl-4,5-dioxo-pent-2-enyl]amino]-2-oxo-ethyl]carbamate
Molecular Mass 408.447 g·mol−1
Heat of Formation -565.1 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 507.89 Å 3
Surface Area 441.88 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
  • n-[(1r)-1-(benzyl)-2-[[(e,1s)-4,5-diketo-1-methyl-pent-2-enyl]amino]-2-keto-ethyl]carbamic acid benzyl ester
  • n-[(1r)-2-[[(e,1s)-1-methyl-4,5-dioxopent-2-enyl]amino]-2-oxo-1-(phenylmethyl)ethyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1r)-2-[[(e,1s)-1-methyl-4,5-dioxo-pent-2-enyl]amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate
  • phenylmethyl n-[(2r)-1-[[(e,2s)-5,6-dioxohex-3-en-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate
  • phenylmethyl n-[(2r)-1-[[(e,2s)-5,6-dioxohex-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChIKey NOXVWFAAXREWMI-GURWAVDKSA-N
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