N-[(2R)-2-Amino-3-Phenylpropanoyl]-1-{(3S)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C21H31ClN6O3
IUPAC Name (1s,2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
Molecular Mass 450.962 g·mol−1
Heat of Formation -446.6 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 553.71 Å 3
Surface Area 420.61 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2r)-2-amino-1-oxo-3-phenylpropyl]-1-[(1s)-1-(2-chloro-1-oxoethyl)-4-guanidinobutyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2r)-2-amino-3-phenyl-propanoyl]-1-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2r)-2-amino-3-phenylpropanoyl]-1-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
  • d-phe-pro-arg ch2cl
  • d-phenylalanine-proline-arginine methyl chloride
  • phe-pro-arg-methyl chloride
  • phenylalanyl-prolyl-arginine methyl chloride
CAS Number(s)
  • 71142-71-7
InChIKey BBLOJOHIPXAIRZ-IKGGRYGDSA-N
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Elements H C N O Cl