(2S)-N-(2-Oxoethyl)-1-{N-[(2S)-2-Pyrrolidinylmethyl]Glycyl-D-Phenylalanyl}-2,5-Dihydro-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C23H31N5O4
IUPAC Name (2s)-n-(2-oxoethyl)-1-[(2r)-3-phenyl-2-[[2-[[(2s)-pyrrolidin-2-yl]methylamino]acetyl]amino]propanoyl]-2,5-dihydropyrrole-2-carboxamide
Molecular Mass 441.523 g·mol−1
Heat of Formation -452.7 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 560.78 Å 3
Surface Area 465.54 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(2-ketoethyl)-1-[(2r)-3-phenyl-2-[[2-[[(2s)-pyrrolidin-2-yl]methylamino]acetyl]amino]propanoyl]-3-pyrroline-2-carboxamide
  • (2s)-n-(2-oxoethyl)-1-[(2r)-1-oxo-2-[[1-oxo-2-[[(2s)-2-pyrrolidinyl]methylamino]ethyl]amino]-3-phenylpropyl]-2,5-dihydropyrrole-2-carboxamide
  • (2s)-n-(2-oxoethyl)-1-[(2r)-3-phenyl-2-[2-[[(2s)-pyrrolidin-2-yl]methylamino]ethanoylamino]propanoyl]-2,5-dihydropyrrole-2-carboxamide
  • (2s)-n-(2-oxoethyl)-1-[(2r)-3-phenyl-2-[[2-[[(2s)-pyrrolidin-2-yl]methylamino]acetyl]amino]propanoyl]-2,5-dihydropyrrole-2-carboxamide
  • cyclo(gly-pro-psi(ch2nh)-gly-phe-pro)
  • cyclo(glycyl-prolyl-psi(ch2nh)-glycyl-phenylalanyl-prolyl)
  • cyclo(gppgfp)-tfa
CAS Number(s)
  • 148138-57-2
InChIKey IIOAXHWOQBDPIK-ZCNNSNEGSA-N
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