tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate
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![tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/be5c95ef43414cc28b7a052815ff1e4e.png "tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate")
tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate
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CAS No:
153162-70-0
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Formula:
C21H38N4O4S
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Chemical Name:
tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate
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Synonyms:
N-Biotinyl-N'-Boc-1,6-hexanediamine; tert-butyl-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d] imidazol-4-yl)pentanamido)hexyl carbamate; (3aS,4S,6aR)-N-{6-[(1,1-Dimethylethoxy)carbonyl]aminohexyl}hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide; N-Boc-6-Biotinamidohexylamine;
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CAS No:
tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate Basic Attributes
442.61600
442.26137688
DTXSID40451517
Computed Properties
Molecular Weight:442.6
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:14
Exact Mass:442.26137688
Monoisotopic Mass:442.26137688
Topological Polar Surface Area:134
Heavy Atom Count:30
Complexity:582
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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