N-Methyl-D-Phenylalanyl-N-[(2S)-4,4,5,5,5-Pentafluoro-1-(1H-Indol-3-Yl)-3-Oxo-2-Pentanyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C28H29F5N4O3
IUPAC Name (2s)-1-[(2r)-2-(methylamino)-3-phenyl-propanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-(2h-indol-1-ium-2-ylium-3-ylmethyl)-2-oxo-butyl]pyrrolidine-2-carboxamide
Molecular Mass 564.547 g·mol−1
Heat of Formation -1402.1 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 633.31 Å 3
Surface Area 439.38 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-methylamino-1-oxo-3-phenylpropyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-(1h-indol-3-ylmethyl)-2-oxobutyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2r)-2-methylamino-3-phenyl-propanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-(1h-indol-3-ylmethyl)-2-keto-butyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-methylamino-3-phenyl-propanoyl]-n-[(1s)-3,3,4,4,4-pentafluoro-1-(1h-indol-3-ylmethyl)-2-oxo-butyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-methylamino-3-phenyl-propanoyl]-n-[(2s)-4,4,5,5,5-pentafluoro-1-(1h-indol-3-yl)-3-oxo-pentan-2-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-methylamino-3-phenylpropanoyl]-n-[(2s)-4,4,5,5,5-pentafluoro-1-(1h-indol-3-yl)-3-oxopentan-2-yl]pyrrolidine-2-carboxamide
  • [dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
  • mdl
InChIKey WFJABZVISMTOSO-ZRBLBEILSA-N
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