(2R,4S)-2-{(1R)-2-(Benzylamino)-2-Oxo-1-[(Phenylacetyl)Amino]Ethyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H27N3O4S
IUPAC Name (2r,4s)-2-[(1r)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 441.543 g·mol−1
Heat of Formation -601.1 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 531.4 Å 3
Surface Area 427.59 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-2-(benzylamino)-2-keto-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-(2-phenylethanoylamino)-2-(phenylmethylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(1-oxo-2-phenylethyl)amino]-2-(phenylmethylamino)ethyl]-4-thiazolidinecarboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]-2-(phenylmethylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]-2-(phenylmethylamino)ethyl]thiazolidine-4-carboxylic acid
  • g23
  • gr123976
InChIKey UDMBRVGTYILYDX-SVFBPWRDSA-N
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