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CAS 59798-30-0

:

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features multiple functional groups, including carboxylic acid, sulfonyl, and amide linkages, contributing to its potential biological activity. The presence of a sodium salt form indicates enhanced solubility in aqueous environments, which is often advantageous for pharmacological applications. The stereochemistry, denoted by the specific configuration at certain chiral centers, suggests that the compound may exhibit selective interactions with biological targets, potentially influencing its efficacy and safety profile. Overall, this compound's intricate structure and functional diversity make it a subject of interest in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C22H26N6O9S2·Na
InChI:InChI=1S/C22H26N6O9S2.Na/c1-22(2)14(18(31)32)28-16(30)13(17(28)38-22)23-15(29)12(11-7-5-4-6-8-11)24-19(33)25-20(34)26-9-10-27(21(26)35)39(3,36)37;/h4-8,12-14,17H,9-10H2,1-3H3,(H,23,29)(H,31,32)(H2,24,25,33,34);/t12-,13-,14+,17-;/m1./s1
InChI key:InChIKey=SQVNWQOKZVCLBL-ZBJAFUORSA-N
SMILES:C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](NC(NC(=O)N3C(=O)N(S(C)(=O)=O)CC3)=O)C4=CC=CC=C4)=O)C2=O)(SC1(C)C)[H].[Na]
Synonyms:
  • 3,3-Dimethyl-6-[[2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)carbonylamino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
  • Sodium 3,3-Dimethyl-6-{[({[3-(Methylsulfonyl)-2-Oxoimidazolidin-1-Yl]Carbonyl}Amino)(Phenyl)Acetyl]Amino}-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
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