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876622-63-8,MFCD22741597
Catalog No.:AA00IEN1

876622-63-8 | N-[(1,1-Dimethylethoxy)carbonyl]-n-methyl-l-alanyl-l-valine

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250mg
97%
in stock  
$311.00   $218.00
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1g
97%
in stock  
$700.00   $490.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IEN1
Chemical Name:
N-[(1,1-Dimethylethoxy)carbonyl]-n-methyl-l-alanyl-l-valine
CAS Number:
876622-63-8
Molecular Formula:
C14H26N2O5
Molecular Weight:
302.3666
MDL Number:
MFCD22741597
SMILES:
CC(C)C(C(=O)O)NC(=O)C(C)N(C)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
401  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[2]CurrentPatentAssignee:IDUNPHARMACEUTICALS,INC.-WO2006/17295,2006,A2Locationinpatent:Page/Pagecolumn132

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2012/80271,2012,A1Locationinpatent:Page/Pagecolumn49-50

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2014/56755,2014,A1

[3]Shimizu,Hiroki;Renslo,AdamR.[ChemMedChem,2022,vol.17,#16]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

Literature
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SDS
Tags:876622-63-8 Molecular Formula|876622-63-8 MDL|876622-63-8 SMILES|876622-63-8 N-[(1,1-Dimethylethoxy)carbonyl]-n-methyl-l-alanyl-l-valine