(2S)-2-Amino-N-[(2S)-2-{[(2S)-4-Chloro-3-Oxo-1-Phenyl-2-Butanyl]Amino}Propanoyl]Propanamide

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Properties Simple | Detailed

Formula C16H22ClN3O3
IUPAC Name (2s)-2-amino-n-[(2s)-2-[[(1s)-1-benzyl-3-chloro-2-oxo-propyl]amino]propanoyl]propanamide
Molecular Mass 339.817 g·mol−1
Heat of Formation -533.6 ± 16.7 kJ·mol−1
Dipole Moment 6.48 ± 1.08 D
Volume 408.71 Å 3
Surface Area 332.71 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-amino-1-oxopropyl]-2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]propanamide
  • (2s)-n-[(2s)-2-aminopropanoyl]-2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]propanamide
  • (2s)-n-[(2s)-2-aminopropanoyl]-2-[[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]amino]propanamide
  • (2s)-n-[(2s)-2-aminopropanoyl]-2-[[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanamide
  • (2s)-n-alanyl-2-[[(1s)-1-(benzyl)-3-chloro-2-keto-propyl]amino]propionamide
  • aapck
  • ala-ala-phe-chloromethyl ketone
  • alanyl-alanyl-phenylalanine chloromethyl ketone
CAS Number(s)
  • 102129-66-8
InChIKey TXTWGNHCLZWABT-GVXVVHGQSA-N
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