N-{(2R)-3-{[(1R)-1-{[(Benzyloxy)Carbonyl]Amino}-2-Phenylethyl](Hydroxy)Phosphoryl}-2-[(3-Phenyl-1,2-Oxazol-5-Yl)Methyl]Propanoyl}-L-Tyrosine

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Properties Simple | Detailed

Formula C38H38N3O9P
IUPAC Name (2s)-2-[[(2r)-2-[[[(1r)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 711.697 g·mol−1
Heat of Formation -1284.6 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 825.39 Å 3
Surface Area 567.36 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-[[[(1r)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid
  • (2s)-2-[[(2r)-2-[[hydroxy-[(1r)-1-[[oxo-(phenylmethoxy)methyl]amino]-2-phenylethyl]phosphoryl]methyl]-1-oxo-3-(3-phenyl-5-isoxazolyl)propyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2r)-2-[[hydroxy-[(1r)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]amino]propanoic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2r)-2-[[hydroxy-[(1r)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]propanoic acid
InChIKey ZPFSKFCSVXPMBD-PFESQZPFSA-N
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