Cyclooctyne-O-amido-PEG4-VC-PAB-Gly-Gly-NH-O-CO-Exatecan

Catalog No. :
ACRUGF227
CAS No. :
2699066-62-9
Molecular Formula :
C69H90FN11O19
Molecular Weight :
1396.54

IUPAC Name:4-((20S,23S)-1-(cyclooct-2-yn-1-yloxy)-20-isopropyl-2,18,21-trioxo-23-(3-ureidopropyl)-6,9,12,15-tetraoxa-3,19,22-triazatetracosan-24-amido)benzyl (2-(((2-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-2-oxoethoxy)methyl)amino)-2-oxoethyl)carbamate

Cyclooctyne-O-amido-PEG4-VC-PAB-Gly-Gly-NH-O-CO-Exatecan structure diagram
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Product Information

Product NameCyclooctyne-O-amido-PEG4-VC-PAB-Gly-Gly-NH-O-CO-Exatecan
IUPAC Name4-((20S,23S)-1-(cyclooct-2-yn-1-yloxy)-20-isopropyl-2,18,21-trioxo-23-(3-ureidopropyl)-6,9,12,15-tetraoxa-3,19,22-triazatetracosan-24-amido)benzyl (2-(((2-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-2-oxoethoxy)methyl)amino)-2-oxoethyl)carbamate
Molecular FormulaC69H90FN11O19
Molecular Weight1396.54
SMILESO=C(COC1CCCCCC#C1)NCCOCCOCCOCCOCCC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC(C=C2)=CC=C2COC(NCC(NCOCC(N[C@@H]3C4=C5C(C(N6C5)=CC([C@](O)(C(OC7)=O)CC)=C7C6=O)=NC8=CC(F)=C(C)C(CC3)=C84)=O)=O)=O)=O)=O)=O
InChI KeyQODUAYOFZUVKPU-HPLXPLKLSA-N
SynonymCyclooctyne-O-amido-PEG4-VC-PAB-Gly-Gly-NH-O-CO-Exatecan
CAS No.2699066-62-9

Synthetic Route by SureRoute

1. ACRUGF227 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
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  4. Then
  5. ACRUGF227 route product structure diagram
    ACRUGF2272699066-62-9
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2. ACRUGF227 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. ACRUGF227 route product structure diagram
    ACRUGF2272699066-62-9
Inquiry

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