CypD-IN-3

Catalog No. :
ACQLOK348
CAS No. :
2651994-75-9
Molecular Formula :
C53H61N7O11
Molecular Weight :
972.11

IUPAC Name:2-((4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-[1,1'-biphenyl]-4-yl)methyl)malonic acid

CypD-IN-3 structure diagram
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Product Information

Product NameCypD-IN-3
IUPAC Name2-((4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-[1,1'-biphenyl]-4-yl)methyl)malonic acid
Molecular FormulaC53H61N7O11
Molecular Weight972.11
SMILESO=C(/C=C/C(NCC[C@H](NC(CC1=CC=CC=C1CNC([C@@H](NC2=O)CC3=CC=C(C4=CC=C(C=C4)CC(C(O)=O)C(O)=O)C=C3)=O)=O)C(NCCOCCN)=O)=O)N(CCC5)C[C@@]52CC6=CC=CC=C6
InChI KeyZHNYUSCORILKFS-FCZRSVTRSA-N
Synonym[(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid;2-((4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-[1,1'-biphenyl]-4-yl)methyl)malonic acid;2-[[4-[4-[[(1S,4S,17S,22E)-17-[2-(2-aminoethoxy)ethylcarbamoyl]-1-benzyl-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraen-4-yl]methyl]phenyl]phenyl]methyl]propanedioic acid;CypD inhibitor B52;CypD-IN-3
CAS No.2651994-75-9

Synthetic Route by SureRoute

1. ACQLOK348 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQLOK348 route product structure diagram
    ACQLOK3482651994-75-9
Inquiry

2. ACQLOK348 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQLOK348 route product structure diagram
    ACQLOK3482651994-75-9
Inquiry

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