N-[(Benzyloxy)Carbonyl]-L-Alanyl-N-[(2S)-1-Hydroxy-3-Phenyl-2-Propanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C25H33N3O5
IUPAC Name benzyl n-[(1s)-2-[[(1s)-1-[[(1s)-1-benzyl-2-hydroxy-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 455.547 g·mol−1
Heat of Formation -862.9 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 579.16 Å 3
Surface Area 465.07 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • [[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine
  • n-[(1s)-2-[[(1s)-1-[[(1s)-1-(benzyl)-2-hydroxy-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester
  • n-[(1s)-2-[[(1s)-1-[[[(1s)-1-(hydroxymethyl)-2-phenylethyl]amino]-oxomethyl]-2-methylpropyl]amino]-1-methyl-2-oxoethyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-2-[[(1s)-1-[[(1s)-1-(hydroxymethyl)-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s)-1-hydroxy-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-propan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
  • tl-3-093
InChIKey QLOIOASGERKBSU-NYVOZVTQSA-N
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