Antibacterial agent 102

Catalog No. :
ACTHAW861
CAS No. :
2413293-65-7
Molecular Formula :
C35H49N5O5S
Molecular Weight :
651.87

IUPAC Name:(3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-((2-(2-(4-((dimethylamino)methyl)-1H-1,2,3-triazol-1-yl)acetamido)phenyl)thio)acetate

Antibacterial agent 102 structure diagram
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Product Information

Product NameAntibacterial agent 102
IUPAC Name(3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-((2-(2-(4-((dimethylamino)methyl)-1H-1,2,3-triazol-1-yl)acetamido)phenyl)thio)acetate
Molecular FormulaC35H49N5O5S
Molecular Weight651.87
SMILESO=C(O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]2(CCC3=O)[C@]3([H])[C@@]1(C)[C@H](C)CC2)CSC4=CC=CC=C4NC(CN5N=NC(CN(C)C)=C5)=O
InChI KeyLWGXUSGMNQTXMC-CVPIINBPSA-N
Synonym(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl 2-[[2-[[2-[4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl]acetyl]amino]phenyl]thio]acetate
CAS No.2413293-65-7

Synthetic Route by SureRoute

1. ACTHAW861 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACTHAW861 route product structure diagram
    ACTHAW8612413293-65-7
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2. ACTHAW861 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. ACTHAW861 route product structure diagram
    ACTHAW8612413293-65-7
Inquiry

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