O-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)Ethyl]-N-[(2Z)-4-Oxo-4-Phenyl-2-Buten-2-Yl]-L-Tyrosine

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Properties Simple | Detailed

Formula C31H30N2O5
IUPAC Name (2s)-2-[[(z)-1-methyl-3-oxo-3-phenyl-prop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid
Molecular Mass 510.580 g·mol−1
Heat of Formation -500.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 629.94 Å 3
Surface Area 432.08 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(z)-1-methyl-3-oxo-3-phenyl-prop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid
  • (2s)-2-[[(z)-1-methyl-3-oxo-3-phenylprop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propanoic acid
  • (2s)-2-[[(z)-3-keto-1-methyl-3-phenyl-prop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propionic acid
  • (2s)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(z)-4-oxo-4-phenyl-but-2-en-2-yl]amino]propanoic acid
  • (2s)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
  • gw 409544
  • gw 9544
CAS Number(s)
  • 258345-41-4
InChIKey GGUVRMBIEPYOKL-WMVCGJOFSA-N
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