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CAS 2055042-71-0

:

(2S)-2-[4-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]butyl]-4-oxo-7,10,13,16-tetraoxa-3-azanonadec-18-ynoic acid

Description:
The chemical substance with the name "(2S)-2-[4-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]butyl]-4-oxo-7,10,13,16-tetraoxa-3-azanonadec-18-ynoic acid" and CAS number "2055042-71-0" is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as amines, oxo groups, and a thienoimidazole moiety. This compound features a long carbon chain and several oxygen atoms, indicating potential solubility in polar solvents. The presence of stereocenters suggests that it may exhibit chirality, which can influence its biological activity and interactions. The compound's structure implies potential applications in medicinal chemistry, possibly as a pharmaceutical agent, due to its unique arrangement of heterocycles and functional groups. Its specific properties, such as melting point, solubility, and reactivity, would require empirical determination through experimental methods. Overall, this substance exemplifies the complexity often found in bioactive molecules, highlighting the importance of structural diversity in drug design and development.
Formula:C28H46N4O9S
InChI:InChI=1S/C28H46N4O9S/c1-2-12-38-14-16-40-18-19-41-17-15-39-13-10-25(34)30-21(27(35)36)7-5-6-11-29-24(33)9-4-3-8-23-26-22(20-42-23)31-28(37)32-26/h1,21-23,26H,3-20H2,(H,29,33)(H,30,34)(H,35,36)(H2,31,32,37)/t21-,22-,23-,26-/m0/s1
InChI key:InChIKey=IPPRUAQKQUEPCX-HZLPDVBGSA-N
SMILES:C(CCCC(NCCCC[C@H](NC(CCOCCOCCOCCOCC#C)=O)C(O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]
Synonyms:
  • (2S)-2-[4-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]butyl]-4-oxo-7,10,13,16-tetraoxa-3-azanonadec-18-ynoic acid
  • 7,10,13,16-Tetraoxa-3-azanonadec-18-ynoic acid, 2-[4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]butyl]-4-oxo-, (2S)-
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