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
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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-[3-(4-hydroxy-3,5-diiodophenyl)propanoylamino]ethyl]pentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1d070fc6f6244f499f23b7b9ce01009d.png "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")
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 -
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CAS No:
111790-42-2
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Formula:
C21H28I2N4O4S
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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-[3-(4-hydroxy-3,5-diiodophenyl)propanoylamino]ethyl]pentanamide
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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)); Biotinylamidoethyl-3-(3,5-diiodo-4-hydroxyphenyl)propionamide; Baeihpp;
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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-[3-(4-hydroxy-3,5-diiodophenyl)propanoylamino]ethyl]pentanamide Basic Attributes
686.34500
685.99207 g/mol
Computed Properties
Molecular Weight:686.3
XLogP3:2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:685.99207
Monoisotopic Mass:685.99207
Topological Polar Surface Area:145
Heavy Atom Count:32
Complexity:662
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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