5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide
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![5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b2db0472b7944c1c9acecbb4ab28dbb4.png "5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide")
5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide
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CAS No:
129244-73-1
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Formula:
C21H29IN4O5S
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Chemical Name:
5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide
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Synonyms:
BAEHPPAS;biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide;Baehppas;129244-73-1;Baehpps;129312-14-7;DTXSID60926358;Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide;Biotinylamidoethyl-3-(4-hydroxy-3-iodophenyl)propionamide beta-sulfoxide;(3aS-(3aalpha,4beta,5alpha,6aalpha))-Hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide 5-oxide;1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, 5-oxide, (3aS-(3aalpha,4beta,5alpha,6aalpha))-;1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, 5-oxide, (3aS-(3aalpha,4beta,5beta,6aalpha))-;N-[2-({1-Hydroxy-3-[4-hydroxy-3-(~125~I)iodophenyl]propylidene}amino)ethyl]-5-(2-hydroxy-5-oxo-3,3a,4,5,6,6a-hexahydro-5lambda~4~-thieno[3,4-d]imidazol-4-yl)pentanimidic acid
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CAS No:
5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide Basic Attributes
574.5 g/mol
574.09050 g/mol
Computed Properties
Molecular Weight:574.5
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:574.09050
Monoisotopic Mass:574.09050
Topological Polar Surface Area:156
Heavy Atom Count:32
Complexity:712
Isotope Atom Count:1
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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