Nalpha-Acetyl-N-[(3S)-7-Amino-1-Chloro-2-Oxo-3-Heptanyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C18H26ClN3O3
IUPAC Name (2s)-2-acetamido-n-[(1s)-5-amino-1-(2-chloroacetyl)pentyl]-3-phenyl-propanamide
Molecular Mass 367.870 g·mol−1
Heat of Formation -566.3 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 460.87 Å 3
Surface Area 406.65 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-n-[(1s)-5-amino-1-(2-chloro-1-oxoethyl)pentyl]-3-phenylpropanamide
  • (2s)-2-acetamido-n-[(1s)-5-amino-1-(2-chloroacetyl)pentyl]-3-phenyl-propanamide
  • (2s)-2-acetamido-n-[(1s)-5-amino-1-(2-chloroacetyl)pentyl]-3-phenyl-propionamide
  • (2s)-2-acetamido-n-[(3s)-7-amino-1-chloro-2-oxo-heptan-3-yl]-3-phenyl-propanamide
  • ac-phe-lys-ch2cl
  • acetyl-phe-lys-chloromethyl ketone
  • acetylphenyl-alanyl-lysine chloromethyl ketone
  • benzenepropanamide, alpha-(acetylamino)-n-(5-amino-1-(chloroacetyl)pentyl)-, (s-(r*,r*))-
CAS Number(s)
  • 76157-63-6
InChIKey NFWHCRXYRQNWPY-HOTGVXAUSA-N
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Elements H C N O Cl