CAS 1301706-65-9: 23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid

Description:The chemical substance known as "23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid" with CAS number 1301706-65-9 is a complex organic compound characterized by its unique structural features, including multiple functional groups and a bicyclic thienoimidazole moiety. This compound contains several oxo and diazatricarboxylic acid functionalities, which contribute to its potential biological activity and solubility properties. The stereochemistry indicated by the (3aS,4S,6aR) configuration suggests specific spatial arrangements that may influence its interaction with biological targets. The presence of multiple oxygen atoms in the form of dioxo and tetraoxa groups indicates potential for hydrogen bonding and reactivity, which could be relevant in medicinal chemistry. Overall, this compound's intricate structure may provide avenues for research in pharmacology, particularly in the development of novel therapeutic agents. However, detailed studies would be necessary to elucidate its specific properties and applications.

Formula:C₂₂H₃₈N₄O₉S

InChI:InChI=1S/C22H38N4O9S/c27-18(4-2-1-3-17-21-16(15-36-17)25-22(31)26-21)23-5-7-32-9-11-34-13-19(28)24-6-8-33-10-12-35-14-20(29)30/h16-17,21H,1-15H2,(H,23,27)(H,24,28)(H,29,30)(H2,25,26,31)/t16-,17-,21-/m0/s1

InChI key:InChIKey=LBSMPUIBHSIUSI-FIKGOQFSSA-N

SMILES:O=C(O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12