N-Acetyl-L-Alanyl-L-Alanyl-N-[(2S)-2-(Methylamino)-3-Phenylpropanoyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C23H33N5O5
IUPAC Name (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 459.539 g·mol−1
Heat of Formation -876.4 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 582.76 Å 3
Surface Area 468.23 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamido-1-oxopropyl]amino]-1-oxopropyl]-n-[(2s)-2-methylamino-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-methylamino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-n-[(2s)-2-methylamino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
  • ac-ala-ala-pro-phe-nh-me
  • acaapfnme
  • acetyl-alanyl-alanyl-prolyl-(n-methyl)phenylalaninamide
CAS Number(s)
  • 151657-05-5
InChIKey PSQOQMIVDQOZSR-LNMJFAINSA-N
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