2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6- aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}ethyl Methanethiosulfonate

Catalog No. :
ACRGOH258
CAS No. :
1356841-34-3
Molecular Formula :
C39H56F4N10O10S3
Molecular Weight :
997.13

IUPAC Name:5-((3aS,4S,6aR)-4-((6-(((5S)-5-(6-(4-azido-2,3,5,6-tetrafluorobenzamido)hexanamido)-6-((2-((methylsulfonothioyl)oxy)ethyl)amino)-6-oxohexyl)amino)-6-oxohexyl)carbamoyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid

2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6- aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}ethyl Methanethiosulfonate structure diagram
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Product Information

Product Name2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6- aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}ethyl Methanethiosulfonate
IUPAC Name5-((3aS,4S,6aR)-4-((6-(((5S)-5-(6-(4-azido-2,3,5,6-tetrafluorobenzamido)hexanamido)-6-((2-((methylsulfonothioyl)oxy)ethyl)amino)-6-oxohexyl)amino)-6-oxohexyl)carbamoyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
MDL No.MFCD31562786
Molecular FormulaC39H56F4N10O10S3
Molecular Weight997.13
SMILESCS(=O)(=S)OCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@@]1(CCCCC(=O)O)SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)CCCCCNC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F
InChI KeyBCPOZOMUCGRGIQ-QQFCOIPVSA-N
Synonym2-{N2-[N6-(4-AZIDO-2,3,5,6-TETRAFLUOROBENZOYL)-6- AMINOCAPROYL]-N6-(6-BIOTINAMIDOCAPROYL)-L -LYSINYLAMIDO}]ETHYL METHANETHIOSULFONATE;Biotin Impurity 65
CAS No.1356841-34-3

Synthetic Route by SureRoute

1. ACRGOH258 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACRGOH258 route product structure diagram
    ACRGOH2581356841-34-3
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2. ACRGOH258 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACRGOH258 route product structure diagram
    ACRGOH2581356841-34-3
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