(2S)-2-{(R)-Carboxy[(2-Thienylacetyl)Amino]Methyl}-5-Methyl-3,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H16N2O5S2
IUPAC Name (2s)-2-[(r)-carboxy-[[2-(2-thienyl)acetyl]amino]methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 356.417 g·mol−1
Heat of Formation -740.7 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 390.15 Å 3
Surface Area 345.66 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(1r)-2-hydroxy-2-keto-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2s)-2-[(1r)-2-hydroxy-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2s)-2-[(1r)-2-hydroxy-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2s)-2-[(1r)-2-hydroxy-2-oxo-1-[[1-oxo-2-(2-thienyl)ethyl]amino]ethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • (2s)-2-[(1r)-2-hydroxy-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
  • 2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
  • hydrolyzed cephalothin
  • kcp
InChIKey JRYZEMHNDUZNMI-RYUDHWBXSA-N
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