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

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Formula C16H20N2O4S
IUPAC Name (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]thiazolidine-4-carboxylic acid
Molecular Mass 336.406 g·mol−1
Heat of Formation -621.6 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 397.79 Å 3
Surface Area 332.55 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-2-keto-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-(2-phenylethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(1-oxo-2-phenylethyl)amino]ethyl]-4-thiazolidinecarboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]thiazolidine-4-carboxylic acid
  • open form - penicillin g
InChIKey OGFZUTGOGYUTKZ-KWCYVHTRSA-N
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