(2R,4S)-2-[(1R)-1-{[(2R)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino}-2-Oxoethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H21N3O5S
IUPAC Name (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 367.420 g·mol−1
Heat of Formation -770.5 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 432.85 Å 3
Surface Area 332.74 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-keto-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2r)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxo-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • 2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • axl
InChIKey SMLJDSWXGVMNTH-NRWUCQMLSA-N
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