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CAS 1334172-61-0

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2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate

Description:
2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxo, tetraoxa, and diaza moieties. This compound features a pyrrolidinyl ring and a thieno[3,4-d]imidazole structure, contributing to its potential biological activity. The presence of multiple carbonyl groups suggests that it may exhibit reactivity typical of diketones, while the tetraoxa and diaza components indicate potential for chelation or interaction with metal ions. Its long carbon chain may influence its solubility and lipophilicity, which are critical for pharmacokinetic properties. The stereochemistry, particularly the specific configuration of the hexahydrothienoimidazole, may play a significant role in its biological interactions and efficacy. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.
Formula:C29H47N5O11S
InChI:InChI=1S/C29H47N5O11S/c1-2-20(31-23(35)6-4-3-5-22-27-21(19-46-22)32-29(40)33-27)28(39)30-10-12-42-14-16-44-18-17-43-15-13-41-11-9-26(38)45-34-24(36)7-8-25(34)37/h20-22,27H,2-19H2,1H3,(H,30,39)(H,31,35)(H2,32,33,40)/t20?,21-,22-,27-/m0/s1
InChI key:InChIKey=PVJHJVSTNKPWMS-PRYZCRMLSA-N
SMILES:C(CCCC(NC(C(NCCOCCOCCOCCOCCC(ON1C(=O)CCC1=O)=O)=O)CC)=O)[C@H]2[C@@]3([C@](CS2)(NC(=O)N3)[H])[H]
Synonyms:
  • 2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate
  • 4,7,10,13-Tetraoxa-16,19-diazatetracosanoic acid, 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-, 2,5-dioxo-1-pyrrolidinyl ester
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