(5R,6R)-3-[(R)-(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 87139-37-5]

Identification

• Name: (5R,6R)-3-[(R)-(2-Acetamidoethyl)sulfinyl]-7-oxo-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)sulfinyl)-6-(1-methyl-1-(sulfooxy)ethyl)-7-oxo-, (5R-(3(R*),5α,6β))-; 3 (2-Acetamidoethylsulfinyl)-6-(1-hydroxysulfonyloxy-1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid; 3-((2-(Acetylamino)ethyl)sulfinyl)-6-(1-methyl-1-(sulfooxy)ethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid (5R-(3(R*),5α,6β))-
• Molecular Formula: C₁₄H₂₀N₂O₉S₂
• Molecular Weight: 424.45
• CAS Registry Number: 87139-37-5
• SMILES: O=S(\C2=C(/C(=O)O)N1C(=O)[C@H]([C@H]1C2)C(OS(=O)(=O)O)(C)C)CCNC(=O)C
• InChI: 1S/C14H20N2O9S2/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/h8,10H,4-6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/t8-,10+,26-/m1/s1
• InChIKey: IXJHZBNZTOAWNU-LGAJQSDJSA-N

Properties

• Density: 1.683g/cm³ (Cal.)