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

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Properties Simple | Detailed

Formula C16H21N3O5S
IUPAC Name (2r,4s)-2-[(r)-[[(2r)-2-amino-2-phenyl-acetyl]amino]-carboxy-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 367.420 g·mol−1
Heat of Formation -828.7 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 422.86 Å 3
Surface Area 349.81 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-1-oxo-2-phenylethyl]amino]-2-hydroxy-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-acetyl]amino]-2-hydroxy-2-keto-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-acetyl]amino]-2-hydroxy-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenyl-ethanoyl]amino]-2-hydroxy-2-oxo-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-phenylacetyl]amino]-2-hydroxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKey KDAWOPKDXRJNHV-MPPDQPJWSA-N
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