β-Phenyl-D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide

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Formula C27H27Cl2N3O2
IUPAC Name (2s)-1-[(2r)-2-amino-3,3-diphenyl-propanoyl]-n-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
Molecular Mass 496.428 g·mol−1
Heat of Formation -171.7 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 577.7 Å 3
Surface Area 458.37 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-amino-1-oxo-3,3-di(phenyl)propyl]-n-[(2,5-dichlorophenyl)methyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2r)-2-amino-3,3-di(phenyl)propanoyl]-n-(2,5-dichlorobenzyl)pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-3,3-di(phenyl)propanoyl]-n-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
  • 1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
InChIKey VTUWWZYFAXSACB-UKILVPOCSA-N
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