N-[(Benzyloxy)Carbonyl]-D-Phenylalanyl-D-Valine

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Properties Simple | Detailed

Formula C22H26N2O5
IUPAC Name (2r)-2-[[(2r)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid
Molecular Mass 398.452 g·mol−1
Heat of Formation -802.5 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 495.58 Å 3
Surface Area 427.8 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyric acid
  • (2r)-3-methyl-2-[[(2r)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3-phenylpropyl]amino]butanoic acid
  • (2r)-3-methyl-2-[[(2r)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
InChIKey AJQYZRHQCXCROF-RTBURBONSA-N
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