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CAS 21649-57-0

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R,6R)-

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R,6R)- is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a sodium salt form, indicating it is soluble in water. The presence of a phenoxy group and a phenylpropyl moiety suggests potential interactions with biological systems, making it of interest in pharmaceutical applications. The stereochemistry indicated by the (2S,5R,6R) configuration implies specific spatial arrangements of atoms, which can significantly influence the compound's biological activity and reactivity. Additionally, the presence of multiple functional groups, including ketones and amines, suggests potential for diverse chemical reactivity and interactions. Overall, this compound's unique structural features may contribute to its potential utility in medicinal chemistry or as a biochemical probe.
Formula:C23H22N2O6S·Na
InChI:InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/t15?,16-,17+,20-;/m1./s1
InChI key:InChIKey=RMBIYBJIDFALFN-JPZUGYNPSA-N
SMILES:C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(C(C(OC3=CC=CC=C3)=O)C4=CC=CC=C4)=O)C2=O)(SC1(C)C)[H].[Na]
Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-2-phenyl-, 1-phenyl ester, monosodium salt
  • Carbenicillin phenyl sodium
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
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