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CAS 1802907-93-2

:

rel-(3aR,4R,6aS)-N-[19-Azido-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadec-1-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Description:
The chemical substance with the name "rel-(3aR,4R,6aS)-N-[19-Azido-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadec-1-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide" and CAS number "1802907-93-2" is a complex organic compound characterized by its unique structural features, including multiple functional groups such as azides, amides, and dioxocyclohexylidene moieties. The presence of a thieno[3,4-d]imidazole core suggests potential biological activity, possibly related to its interactions with biological macromolecules. The stereochemistry indicated by the "rel" and specific R/S designations implies that the compound has chiral centers, which can influence its pharmacological properties and interactions. Additionally, the presence of multiple oxygen atoms in the structure indicates potential for hydrogen bonding and solubility in polar solvents. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly in the context of targeting specific biological pathways or mechanisms. However, detailed studies would be necessary to fully elucidate its properties and potential applications.
Formula:C32H53N7O8S
InChI:InChI=1/C32H53N7O8S/c1-32(2)20-25(40)29(26(41)21-32)23(34-9-5-10-36-39-33)8-12-44-14-16-46-18-19-47-17-15-45-13-11-35-28(42)7-4-3-6-27-30-24(22-48-27)37-31(43)38-30/h24,27,30,34H,3-22H2,1-2H3,(H,35,42)(H2,37,38,43)/t24-,27-,30-/s2
InChI key:InChIKey=HUAWNOKWZYCBQA-LXQKZGKHNA-N
SMILES:C(CCCC(NCCOCCOCCOCCOCCC(NCCCN=[N+]=[N-])=C1C(=O)CC(C)(C)CC1=O)=O)[C@H]2[C@@]3([C@](CS2)(NC(=O)N3)[H])[H]
Synonyms:
  • rel-(3aR,4R,6aS)-N-[19-Azido-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadec-1-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[19-azido-15-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3,6,9,12-tetraoxa-16-azanonadec-1-yl]hexahydro-2-oxo-, (3aR,4R,6aS)-rel-
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