1-[(2R)-2-Amino-2-Cyclohexylacetyl]-N-{5-Chloro-2-[2-(Ethylamino)-2-Oxoethoxy]Benzyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C24H35ClN4O4
IUPAC Name (2s)-1-[(2r)-2-amino-2-cyclohexyl-acetyl]-n-[[5-chloro-2-[2-(ethylamino)-2-oxo-ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide
Molecular Mass 479.012 g·mol−1
Heat of Formation -824.9 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 576.55 Å 3
Surface Area 475.79 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-amino-2-cyclohexyl-1-oxoethyl]-n-[[5-chloro-2-(2-ethylamino-2-oxoethoxy)phenyl]methyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2r)-2-amino-2-cyclohexyl-acetyl]-n-[5-chloro-2-(2-ethylamino-2-keto-ethoxy)benzyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-2-cyclohexyl-acetyl]-n-[[5-chloro-2-(2-ethylamino-2-oxo-ethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-2-cyclohexyl-ethanoyl]-n-[[5-chloro-2-(2-ethylamino-2-oxo-ethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-2-cyclohexylacetyl]-n-[[5-chloro-2-(2-ethylamino-2-oxoethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
  • 1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
InChIKey BMHVHOJXEQTIEA-SIKLNZKXSA-N
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