N-{(2Z)-2-[(1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Prolyl)Amino]-3-Phenyl-2-Propenoyl}Glycine

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Properties Simple | Detailed

Formula C21H27N3O6
IUPAC Name 2-[[(z)-2-[[(2s)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]amino]-3-phenyl-prop-2-enoyl]amino]acetic acid
Molecular Mass 417.456 g·mol−1
Heat of Formation -1031.5 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 518.62 Å 3
Surface Area 414.02 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(z)-2-[[(2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-prop-2-enoyl]amino]ethanoic acid
  • 2-[[(z)-2-[[(2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylprop-2-enoyl]amino]acetic acid
  • 2-[[(z)-2-[[(2s)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]amino]-3-phenyl-acryloyl]amino]acetic acid
  • 2-[[(z)-2-[[(2s)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]amino]-3-phenyl-prop-2-enoyl]amino]acetic acid
  • 2-[[(z)-2-[[[(2s)-1-(tert-butoxy-oxomethyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]acetic acid
  • boc-pro-dehydro-phe-gly-oh
  • glycine, n-((z)-alpha,beta-didehydro-n-(1-((1,1-dimethylethoxy)carbonyl)-l-prolyl)phenylalanyl)-
  • n-((z)-alpha,beta-didehydro-n-(1-((1,1-dimethylethoxy)carbonyl)-l-prolyl)phenylalanyl)glycine
  • tert-butylcarbonyl-prolyl-dehydro-phenylalanyl-glycine
CAS Number(s)
  • 129119-97-7
InChIKey KFICWGRINAFFES-IRVMHKCDSA-N
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