β-Phenyl-D-Phenylalanyl-N-(3-Chlorobenzyl)-L-Prolinamide

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Properties Simple | Detailed

Formula C27H28ClN3O2
IUPAC Name (2s)-1-[(2r)-2-amino-3,3-diphenyl-propanoyl]-n-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Molecular Mass 461.983 g·mol−1
Heat of Formation -137.7 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 552.4 Å 3
Surface Area 461.75 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-amino-1-oxo-3,3-di(phenyl)propyl]-n-[(3-chlorophenyl)methyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2r)-2-amino-3,3-di(phenyl)propanoyl]-n-(3-chlorobenzyl)pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-3,3-di(phenyl)propanoyl]-n-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
InChIKey LJTKFVOSAVCILF-UKILVPOCSA-N
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