5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]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-3,5-bis(125I)(iodanyl)phenyl]ethyl]pentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4553627a6b4d41b9b7a364d33e1c12f7.png "5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]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-3,5-bis(125I)(iodanyl)phenyl]ethyl]pentanamide
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CAS No:
112242-37-2
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Formula:
C18H23I2N3O3S
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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-3,5-bis(125I)(iodanyl)phenyl]ethyl]pentanamide
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Synonyms:
biotinyldiiodotyramine;N-(4-hydroxy-3,5-diiodophenylethyl)biotin amide;N-HDPEBA;112242-37-2;Biotinyldiiodotyramine;N-Hdpeba;N-(4-Hydroxy-3,5-diiodophenylethyl)biotin amide;DTXSID90920703;Hexahydro-N-(2-(4-hydroxy-3,5-di(iodo-125I)phenyl)ethyl)-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide (3aS-(3aalpha,4beta,6aalpha))-;1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-(4-hydroxy-3,5-di(iodo-125I)phenyl)ethyl)-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-;N-(2-{4-Hydroxy-3,5-bis[(~125~I)iodo]phenyl}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-3,5-bis(125I)(iodanyl)phenyl]ethyl]pentanamide Basic Attributes
611.3 g/mol
610.95527 g/mol
Computed Properties
Molecular Weight:611.3
XLogP3:3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:610.95527
Monoisotopic Mass:610.95527
Topological Polar Surface Area:116
Heavy Atom Count:27
Complexity:530
Isotope Atom Count:2
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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