(2R,4S)-N-{(2R,3R)-5-[(1H-Benzimidazol-2-Ylmethyl)Amino]-3-Hydroxy-5-Oxo-1-Phenyl-2-Pentanyl}-2-{(1R)-2-(Benzylamino)-2-Oxo-1-[(Phenylacetyl)Amino]Ethyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C42H47N7O5S
IUPAC Name (2r,4s)-n-[(1r,2r)-4-(4h-benzimidazol-3-ium-4-id-2-ylmethylamino)-1-benzyl-2-hydroxy-4-oxo-butyl]-2-[(1r)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxamide
Molecular Mass 761.931 g·mol−1
Heat of Formation -551.5 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 920.18 Å 3
Surface Area 683.54 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-n-[(1r,2r)-4-(1h-benzimidazol-2-ylmethylamino)-1-(benzyl)-2-hydroxy-4-keto-butyl]-2-[(1r)-2-(benzylamino)-2-keto-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxamide
  • (2r,4s)-n-[(1r,2r)-4-(1h-benzimidazol-2-ylmethylamino)-2-hydroxy-4-oxo-1-(phenylmethyl)butyl]-5,5-dimethyl-2-[(1r)-2-oxo-1-[(1-oxo-2-phenylethyl)amino]-2-(phenylmethylamino)ethyl]-4-thiazolidinecarboxamide
  • (2r,4s)-n-[(1r,2r)-4-(1h-benzimidazol-2-ylmethylamino)-2-hydroxy-4-oxo-1-(phenylmethyl)butyl]-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]-2-(phenylmethylamino)ethyl]thiazolidine-4-carboxamide
  • (2r,4s)-n-[(2r,3r)-5-(1h-benzimidazol-2-ylmethylamino)-3-hydroxy-5-oxo-1-phenyl-pentan-2-yl]-5,5-dimethyl-2-[(1r)-2-oxo-1-(2-phenylethanoylamino)-2-(phenylmethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
  • (2r,4s)-n-[(2r,3r)-5-(1h-benzimidazol-2-ylmethylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]-2-(phenylmethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
  • 2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide
  • g37
  • gr137615
InChIKey ZABIWLDXHYJWLT-QGNCIQMXSA-N
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