N-(2-{[3-(4-Hydroxy-3,5-Diiodophenyl)Propanoyl]Amino}Ethyl)-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C21H28I2N4O4S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[2-[3-(4-hydroxy-3,5-diiodo-phenyl)propanoylamino]ethyl]pentanamide
Molecular Mass 686.345 g·mol−1
Heat of Formation -603.0 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 619.33 Å 3
Surface Area 438.12 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, hexahydro-n-(2-((3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, (3as-(3aalpha,4beta,6aalpha))-
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[2-[3-(4-hydroxy-3,5-diiodo-phenyl)propanoylamino]ethyl]valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[2-[3-(4-hydroxy-3,5-diiodo-phenyl)propanoylamino]ethyl]pentanamide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[2-[[3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl]amino]ethyl]pentanamide
  • baeihpp
  • biotinylamidoethyl-3-(3,5-diiodo-4-hydroxyphenyl)propionamide
CAS Number(s)
  • 111790-42-2
InChIKey ZADYZPFVEWLGRJ-BXWFABGCSA-N
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