5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide
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![5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c06c28e504da4d37b939f581c39007cd.png "5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide")
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide
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CAS No:
112242-36-1
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Formula:
C18H24IN3O3S
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Chemical Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide
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Synonyms:
biotinylmonoiodotyramine;N-(4-hydroxy-3-iodophenylethyl)biotin amide;N-(beta-(4-hydroxy-3-iodophenyl)ethyl)biotinamide;N-HIPEBA;112242-36-1;Biotinylmonoiodotyramine;N-Hipeba;N-(4-Hydroxy-3-iodophenylethyl)biotin amide;N-(beta-(4-Hydroxy-3-iodophenyl)ethyl)biotinamide;DTXSID30920702;1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-(4-hydroxy-3-(iodo-125I)phenyl)ethyl)-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-;N-{2-[4-Hydroxy-3-(~125~I)iodophenyl]ethyl}-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid
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CAS No:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide Basic Attributes
487.4 g/mol
487.05847 g/mol
Computed Properties
Molecular Weight:487.4
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:487.05847
Monoisotopic Mass:487.05847
Topological Polar Surface Area:116
Heavy Atom Count:26
Complexity:510
Isotope Atom Count:1
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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