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

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Properties Simple | Detailed

Formula C14H19N5O5S2
IUPAC Name (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Molecular Mass 401.461 g·mol−1
Heat of Formation -505.4 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 441.43 Å 3
Surface Area 371.8 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxo-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-keto-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • (2r,4s)-2-[(1r)-1-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
  • 2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
InChIKey YVNKGXXVZIQNIV-RKMXGKDGSA-N
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