N-[(2S)-2-{[(3S)-7-Amino-1-Chloro-2-Oxo-3-Heptanyl]Amino}Propanoyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C19H29ClN4O3
IUPAC Name (2s)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]propanoyl]-3-phenyl-propanamide
Molecular Mass 396.912 g·mol−1
Heat of Formation -570.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 486.68 Å 3
Surface Area 372.39 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloro-1-oxoethyl)pentyl]amino]-1-oxopropyl]-3-phenylpropanamide
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]propanoyl]-3-phenyl-propanamide
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-5-amino-1-(2-chloroacetyl)pentyl]amino]propanoyl]-3-phenyl-propionamide
  • (2s)-2-amino-n-[(2s)-2-[[(3s)-7-amino-1-chloro-2-oxo-heptan-3-yl]amino]propanoyl]-3-phenyl-propanamide
  • (2s)-2-amino-n-[(2s)-2-[[(3s)-7-amino-1-chloro-2-oxoheptan-3-yl]amino]propanoyl]-3-phenylpropanamide
  • l-alaninamide, l-phenylalanyl-n-(5-amino-1-(chloroacetyl)pentyl)-, (s)-
  • phe-ala-lys-chloromethyl ketone
  • phenylalanyl-alanyl-lysine chloromethyl ketone
CAS Number(s)
  • 52780-81-1
InChIKey ZJWRQYXUQCXLBN-BPUTZDHNSA-N
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Elements H C N O Cl