Nitro-PDS-Tubulysin M

Catalog No. :
ACPBEH093
CAS No. :
1941168-69-9
Molecular Formula :
C54H73N8O11S3+
Molecular Weight :
1106.42

IUPAC Name:(2R)-2-(((2S,3S)-1-(((1R,3R)-1-acetoxy-1-(4-(((2R,4S)-4-carboxy-1-phenylpentan-2-yl)carbamoyl)thiazol-2-yl)-4-methylpentan-3-yl)(methyl)amino)-3-methyl-1-oxopentan-2-yl)carbamoyl)-1-methyl-1-(4-((((R)-2-((6-nitropyridin-3-yl)disulfaneyl)propoxy)carbonyl)amino)benzyl)piperidin-1-ium

Nitro-PDS-Tubulysin M structure diagram
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Product Information

Product NameNitro-PDS-Tubulysin M
IUPAC Name(2R)-2-(((2S,3S)-1-(((1R,3R)-1-acetoxy-1-(4-(((2R,4S)-4-carboxy-1-phenylpentan-2-yl)carbamoyl)thiazol-2-yl)-4-methylpentan-3-yl)(methyl)amino)-3-methyl-1-oxopentan-2-yl)carbamoyl)-1-methyl-1-(4-((((R)-2-((6-nitropyridin-3-yl)disulfaneyl)propoxy)carbonyl)amino)benzyl)piperidin-1-ium
Molecular FormulaC54H73N8O11S3+
Molecular Weight1106.42
SMILESO=C([C@H](C[C@H](CC1=CC=CC=C1)NC(C2=CSC([C@@H](C[C@H](C(C)C)N(C([C@H]([C@H](CC)C)NC([C@@H]3[N+](C)(CCCC3)CC4=CC=C(C=C4)NC(OC[C@@H](C)SSC5=CC=C(N=C5)[N+]([O-])=O)=O)=O)=O)C)OC(C)=O)=N2)=O)C)O
InChI KeyFVZABGIKJSSIQM-KDOZOHQXSA-O
SynonymNitro-PDS-Tubulysin M
CAS No.1941168-69-9

Synthetic Route by SureRoute

1. ACPBEH093 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. ACPBEH093 route product structure diagram
    ACPBEH0931941168-69-9
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2. ACPBEH093 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACPBEH093 route product structure diagram
    ACPBEH0931941168-69-9
Inquiry

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