12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid
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![12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8fd8ccce49164535a32c1d057f529bad.png "12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid")
12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid
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CAS No:
135447-73-3
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Formula:
C22H39N3O4S
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Chemical Name:
12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid
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Synonyms:
12:0 N-Biotinyl Fatty Acid; 12-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]dodecanoic Acid; N-biotinyl-dodecanoic acid; N-Biotinyl-12-aminododecanoic Acid;
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CAS No:
12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid Basic Attributes
441.62800
441.26612791
DTXSID10609301
Computed Properties
Molecular Weight:441.6
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:17
Exact Mass:441.26612791
Monoisotopic Mass:441.26612791
Topological Polar Surface Area:133
Heavy Atom Count:30
Complexity:547
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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