N-[(2S)-2-({(3S)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}Amino)Propanoyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C19H29ClN6O3
IUPAC Name (2s)-2-amino-n-[(2s)-2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]propanoyl]-3-phenyl-propanamide
Molecular Mass 424.925 g·mol−1
Heat of Formation -466.9 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 512.66 Å 3
Surface Area 384.87 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-1-(2-chloro-1-oxoethyl)-4-guanidinobutyl]amino]-1-oxopropyl]-3-phenylpropanamide
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]propanoyl]-3-phenyl-propanamide
  • (2s)-2-amino-n-[(2s)-2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]propanoyl]-3-phenyl-propionamide
  • (2s)-2-amino-n-[(2s)-2-[[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]amino]propanoyl]-3-phenyl-propanamide
  • (2s)-2-amino-n-[(2s)-2-[[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide
  • l-alaninamide, l-phenylalanyl-n-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (s)-
  • phe-ala-arg-chloromethyl ketone
  • phe-ala-arg-ck
  • phenylalanyl-alanyl-arginine chloromethyl ketone
CAS Number(s)
  • 65319-55-3
InChIKey UXMGFTICECPEOA-QEJZJMRPSA-N
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