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Allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate

Catalog No. :
ACHXPR485
CAS No. :
1595275-60-7
Molecular Formula :
C57H69N7O16
Molecular Weight :
1108.21

IUPAC Name:allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate

Allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate structure diagram
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Product NameAllyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
IUPAC Nameallyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
Molecular FormulaC57H69N7O16
Molecular Weight1108.21
SMILESO=C(N(C1=CC(OCCCCCOC2=C(OC)C=C3C(N(C(OCC4=CC=C(NC([C@@H](NC([C@@H](NC(OCC=C)=O)C(C)C)=O)C)=O)C=C4)=O)[C@@H](O)[C@@](CC(C)=C5)([H])N5C3=O)=C2)=C(OC)C=C16)[C@@H](O)[C@@](CC(C)=C7)([H])N7C6=O)OCC=C
InChI KeyCUIZJAKXCMXFRH-JEFJBVEBSA-N
SynonymL-Alaninamide, N-[(2-propen-1-yloxy)carbonyl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11S,11aS)-5,10,11,11a-tetrahydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-10-[(2-propen-1-yloxy)carbonyl]-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-;L-Alaninamide, N-[(2-propen-1-yloxy)carbonyl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11S,11aS)-5,10,11,11a-tetrahydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-10-[(2-propen-1-yloxy)carbonyl]-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1...;Allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
CAS No.1595275-60-7

Synthetic Route by SureRoute

1. ACHXPR485 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. ACGQMJ980 route compound structure diagram
    ACGQMJ980115491-96-8 In Stock
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  5. ACHXPR485 route product structure diagram
    ACHXPR4851595275-60-7 In Stock
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2. ACHXPR485 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACQHYD987 route compound structure diagram
    ACQHYD987330970-70-2 In Stock
  4. Then
  5. ACHXPR485 route product structure diagram
    ACHXPR4851595275-60-7 In Stock
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