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CAS 97519-40-9

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(6R,7R)-7-[[(2E)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description:
The chemical substance with the name "(6R,7R)-7-[[(2E)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" and CAS number "97519-40-9" is a complex bicyclic compound that exhibits characteristics typical of antibiotic agents. It features a thiazole ring, which is known for its biological activity, particularly in antimicrobial properties. The presence of multiple functional groups, including carboxylic acids and amines, suggests that this compound may engage in various interactions with biological targets, potentially inhibiting bacterial protein synthesis. Its structural configuration, indicated by the stereochemistry (6R,7R), implies specific spatial arrangements that can influence its pharmacological efficacy and binding affinity. This compound is likely to be soluble in polar solvents due to the presence of polar functional groups, and its stability may be influenced by environmental factors such as pH and temperature. Overall, this substance represents a class of compounds that are of interest in medicinal chemistry for their potential therapeutic applications.
Formula:C15H14N4O6S2
InChI:InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1+/t10-,13-/m1/s1
InChI key:InChIKey=UNJFKXSSGBWRBZ-VTSZRNMSSA-N
SMILES:O=C1N2[C@@]([C@@H]1NC(/C(=C/CC(O)=O)/C3=CSC(N)=N3)=O)(SCC=C2C(O)=O)[H]
Synonyms:
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-, (6R,7R)-
  • trans-Ceftibuten
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-, [6R-[6α,7β(E)]]-
  • (6R,7R)-7-[[(2E)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-, (6R,7R)-
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