[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
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![[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/07c6d9c89e754ffda88e6a73ae98d575.png "[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate")
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
structure -
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CAS No:
83592-07-8
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Formula:
C29H38N4O8S
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Chemical Name:
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
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Synonyms:
3-(4-biotinoyl-6-aminocaproyloxy)phenylpropionic acid N-hydroxysuccinimide ester;BAPPS;83592-07-8;BAPPS;SCHEMBL9524928;DTXSID901003591;[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate;3-(4-Biotinoyl-6-aminocaproyloxy)phenylpropionic acid N-hydroxysuccinimide ester;4-(3-((2,5-Dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)phenyl 6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoate;Hexanoic acid, 6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-, 4-(3-((2,5-dioxo-1-pyrrolidinyl)oxy)-3-oxopropyl)phenyl ester, (3aS-(3aalpha,4beta,6aalpha))-;N-[6-(4-{3-[(2,5-Dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenoxy)-6-oxohexyl]-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid
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CAS No:
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate Basic Attributes
602.7 g/mol
602.24103536 g/mol
Computed Properties
Molecular Weight:602.7
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:18
Exact Mass:602.24103536
Monoisotopic Mass:602.24103536
Topological Polar Surface Area:186
Heavy Atom Count:42
Complexity:986
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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