L-Alanyl-N-{(2S)-1-[(2S)-2-Formyl-1-Pyrrolidinyl]-4-Methyl-1-Oxo-4-Penten-2-Yl}-D-Phenylalaninamide

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Properties Simple | Detailed

Formula C23H32N4O4
IUPAC Name (2r)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(1s)-1-[(2s)-2-formylpyrrolidine-1-carbonyl]-3-methyl-but-3-enyl]-3-phenyl-propanamide
Molecular Mass 428.525 g·mol−1
Heat of Formation -589.5 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 560.11 Å 3
Surface Area 454.96 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(alanylamino)-n-[(1s)-1-[(2s)-2-formylpyrrolidine-1-carbonyl]-3-methyl-but-3-enyl]-3-phenyl-propionamide
  • (2r)-2-[[(2s)-2-amino-1-oxopropyl]amino]-n-[(1s)-1-[[(2s)-2-formyl-1-pyrrolidinyl]-oxomethyl]-3-methylbut-3-enyl]-3-phenylpropanamide
  • (2r)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(1s)-1-[(2s)-2-formylpyrrolidine-1-carbonyl]-3-methyl-but-3-enyl]-3-phenyl-propanamide
  • (2r)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(2s)-1-[(2s)-2-formylpyrrolidin-1-yl]-4-methyl-1-oxopent-4-en-2-yl]-3-phenylpropanamide
  • (2r)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(2s)-1-[(2s)-2-methanoylpyrrolidin-1-yl]-4-methyl-1-oxo-pent-4-en-2-yl]-3-phenyl-propanamide
  • cyclic (prolyl-alanyl-d-phenylalanyl-leucyl)
  • cyclo pafl
  • cyclo(pro-ala-phe-leu)
  • cyclo(prolyl-alanyl-phenylalanyl-leucyl)
CAS Number(s)
  • 151545-20-9
InChIKey IITUVPKVNFWTCD-FFGOWVMKSA-N
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