(5R,6R)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-7-Oxo-6-(2-Sulfooxypropan-2-Yl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 76094-36-5]

Identification

• Name: (5R,6R)-3-[(R)-[(E)-2-Acetamidoethenyl]Sulfinyl]-7-Oxo-6-(2-Sulfooxypropan-2-Yl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(1-Methyl-1-Sulfooxy-Ethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-6-(1-Methyl-1-Sulfooxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-[(R)-[(E)-2-Acetamidovinyl]Sulfinyl]-7-Keto-6-(1-Methyl-1-Sulfoxy-Ethyl)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₈N₂O₉S₂
• Molecular Weight: 422.42
• CAS Registry Number: 76094-36-5
• SMILES: [S@](=O)(C2=C(N1[C@@H]([C@@H](C1=O)C(O[S](=O)(=O)O)(C)C)C2)C(=O)O)\C=C\NC(=O)C
• InChI: 1S/C14H18N2O9S2/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/b5-4+/t8-,10+,26-/m1/s1
• InChIKey: GOODEIVATWULQD-CWYJLJPQSA-N

Properties

• Density: 1.721g/cm³ (Cal.)