N-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide

Catalog No. :
ACYLIX429
CAS No. :
2821770-49-2
Molecular Formula :
C55H71N9O13S
Molecular Weight :
1098.29

IUPAC Name:N-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide

N-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide structure diagram
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Product Information

Product NameN-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide
IUPAC NameN-((11S,14S)-11-(4-(dipropylamino)butyl)-1-((S)-7-ethyl-7-hydroxy-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-yl)-15-methyl-7,10,13-trioxo-4-oxa-6,9,12-triazahexadecan-14-yl)-6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamide
Molecular FormulaC55H71N9O13S
Molecular Weight1098.29
SMILESC(CCOCNC(CNC([C@@H](NC([C@@H](NC(CCCC#CC=1C=NC(S(C)(=O)=O)=NC1)=O)[C@H](C)C)=O)CCCCN(CCC)CCC)=O)=O)C2=C3C(C=4N(C3)C(=O)C5=C(C4)[C@](CC)(O)C(=O)OC5)=NC=6C2=CC7=C(C6)OCO7
InChI KeyHZTIRNJXQJVRDP-OPQNLWLXSA-N
SynonymDL-01;Glycinamide, N-[6-[2-(methylsulfonyl)-5-pyrimidinyl]-1-oxo-5-hexyn-1-yl]-L-valyl-N6,N6-dipropyl-L-lysyl-N-[[3-[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-14-yl]propoxy]methyl]-;Glycinamide, N-[6-[2-(methylsulfonyl)-5-pyrimidinyl]-1-oxo-5-hexyn-1-yl]-L-valyl-N6,N6-dipropyl-L-lysyl-N-[[3-[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3′,;Glycinamide, N-[6-[2-(methylsulfonyl)-5-pyrimidinyl]-1-oxo-5-hexyn-1-yl]-L-valyl-N6,N6-dipropyl-L-lysyl-N-[[3-[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3′,4′
CAS No.2821770-49-2

Synthetic Route by SureRoute

1. ACYLIX429 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACWEQK987 route compound structure diagram
    ACWEQK9872356229-58-6 In Stock
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  5. ACYLIX429 route product structure diagram
    ACYLIX4292821770-49-2
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2. ACYLIX429 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACDCLX652 route compound structure diagram
    ACDCLX65238275-48-8 In Stock
  4. Then
  5. ACYLIX429 route product structure diagram
    ACYLIX4292821770-49-2
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