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

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Properties Simple | Detailed

Formula C16H20N2O5S
IUPAC Name (2r,4s)-2-[(r)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 352.405 g·mol−1
Heat of Formation -880.0 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 411.53 Å 3
Surface Area 317.18 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-2-hydroxy-2-keto-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-2-hydroxy-2-oxo-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-2-hydroxy-2-oxo-1-[(1-oxo-2-phenylethyl)amino]ethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1r)-2-hydroxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-2-hydroxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • pnm
InChIKey HCYWNSXLUZRKJX-RWMBFGLXSA-N
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