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

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Properties Simple | Detailed

Formula C25H33ClN6O3
IUPAC Name (2r)-2-amino-n-[(1s)-1-benzyl-2-[[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]-3-phenyl-propanamide
Molecular Mass 501.021 g·mol−1
Heat of Formation -353.8 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 616.89 Å 3
Surface Area 519.15 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-amino-1-oxo-3-phenylpropyl]amino]-n-[(1s)-1-(2-chloro-1-oxoethyl)-4-guanidinobutyl]-3-phenylpropanamide
  • (2s)-2-[[(2r)-2-amino-3-phenyl-propanoyl]amino]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]-3-phenyl-propanamide
  • (2s)-2-[[(2r)-2-amino-3-phenyl-propanoyl]amino]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]-3-phenyl-propionamide
  • (2s)-2-[[(2r)-2-amino-3-phenyl-propanoyl]amino]-n-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]-3-phenyl-propanamide
InChIKey PJFSUJMJVYGASC-HKBOAZHASA-N
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