Val-Ala-PABC-Exatecan trifluoroacetate

Catalog No. :
ACUPRS378
CAS No. :
2928571-45-1
Molecular Formula :
C42H44F4N6O10
Molecular Weight :
868.84

IUPAC Name:4-((S)-2-((S)-2-amino-3-methylbutanamido)propanamido)benzyl ((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)carbamate 2,2,2-trifluoroacetate

Val-Ala-PABC-Exatecan trifluoroacetate structure diagram
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Product Information

Product NameVal-Ala-PABC-Exatecan trifluoroacetate
IUPAC Name4-((S)-2-((S)-2-amino-3-methylbutanamido)propanamido)benzyl ((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)carbamate 2,2,2-trifluoroacetate
Molecular FormulaC42H44F4N6O10
Molecular Weight868.84
SMILESC(C(O)=O)(F)(F)F.N(C(OCC1=CC=C(NC([C@@H](NC([C@H](C(C)C)N)=O)C)=O)C=C1)=O)[C@@H]2C3=C4C(C=5N(C4)C(=O)C6=C(C5)[C@](CC)(O)C(=O)OC6)=NC=7C3=C(CC2)C(C)=C(F)C7
InChI KeyBEGBTWTZTSSNHK-TYUAWROFSA-N
SynonymVal-Ala-PABC-Exatecan trifluoroacetate
CAS No.2928571-45-1

Synthetic Route by SureRoute

1. ACUPRS378 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUPRS378 route product structure diagram
    ACUPRS3782928571-45-1
Inquiry

2. ACUPRS378 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUPRS378 route product structure diagram
    ACUPRS3782928571-45-1
Inquiry

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