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-diiodophenyl)propanoylamino]ethyl]pentanamide

Modify Date: 2024-09-07 15:15:33

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-diiodophenyl)propanoylamino]ethyl]pentanamide Structure
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-diiodophenyl)propanoylamino]ethyl]pentanamide structure
Common 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-diiodophenyl)propanoylamino]ethyl]pentanamide
CAS Number 111790-42-2 Molecular Weight 686.34500
Density 1.734g/cm3 Boiling Point 857.3ºC at 760mmHg
Molecular Formula C21H28I2N4O4S Melting Point N/A
MSDS N/A Flash Point 472.3ºC

 Names

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-diiodophenyl)propanoylamino]ethyl]pentanamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.734g/cm3
Boiling Point 857.3ºC at 760mmHg
Molecular Formula C21H28I2N4O4S
Molecular Weight 686.34500
Flash Point 472.3ºC
Exact Mass 685.99200
PSA 155.33000
LogP 4.14160
Vapour Pressure 7.38E-31mmHg at 25°C
Index of Refraction 1.636
InChIKey ZADYZPFVEWLGRJ-BXWFABGCSA-N
SMILES O=C(CCCCC1SCC2NC(=O)NC21)NCCNC(=O)CCc1cc(I)c(O)c(I)c1

 Synonyms

Baeihpp
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))
Biotinylamidoethyl-3-(3,5-diiodo-4-hydroxyphenyl)propionamide
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