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

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Properties Simple | Detailed

Formula C21H33ClN4O3
IUPAC Name (2r)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]-3-phenyl-propanoyl]-3-methyl-butanamide
Molecular Mass 424.965 g·mol−1
Heat of Formation -592.1 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 539.6 Å 3
Surface Area 425.73 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloro-1-oxoethyl)pentyl]amino]-1-oxo-3-phenylpropyl]-3-methylbutanamide
  • (2r)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]-3-phenyl-propanoyl]-3-methyl-butanamide
  • (2r)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]-3-phenyl-propanoyl]-3-methyl-butyramide
  • (2r)-2-amino-n-[(2s)-2-[[(3s)-7-amino-1-chloro-2-oxo-heptan-3-yl]amino]-3-phenyl-propanoyl]-3-methyl-butanamide
  • (2r)-2-amino-n-[(2s)-2-[[(3s)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]-3-phenylpropanoyl]-3-methylbutanamide
  • d-val-phe-lys-chloromethyl ketone
  • valyl-phenylalanyl-lysine chloromethyl ketone
CAS Number(s)
  • 75590-17-9
InChIKey RGFUBDSAHDNATK-JENIJYKNSA-N
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