(2E)-2-({N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl}Amino)-3-Phenylacrylic Acid

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Properties Simple | Detailed

Formula C26H24N2O5
IUPAC Name (e)-2-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-prop-2-enoic acid
Molecular Mass 444.479 g·mol−1
Heat of Formation -539.1 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 532.12 Å 3
Surface Area 472.43 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3-phenylpropyl]amino]-3-phenylprop-2-enoic acid
  • (e)-2-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-acrylic acid
  • (e)-3-phenyl-2-[[(2s)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid
  • benzyloxycarbonyl-phenylalanyl-dehydrophenylalanine
  • z-phe-(z)-deltaphe
CAS Number(s)
  • 88463-10-9
InChIKey JVIRDARUIJAPCB-HFGSDPQMSA-N
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