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4-((S)-2-(4-Aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate

Catalog No. :
ACCVSV895
CAS No. :
2356230-22-1
Molecular Formula :
C76H103N13O23S2
Molecular Weight :
1630.86

IUPAC Name:4-((S)-2-(4-aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate

4-((S)-2-(4-Aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate structure diagram
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Product Name4-((S)-2-(4-Aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate
IUPAC Name4-((S)-2-(4-aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate
Molecular FormulaC76H103N13O23S2
Molecular Weight1630.86
SMILESO=C1N2C(C3=NC4=CC=CC=C4C(CCN(C(C)C)S(C)(=O)=O)=C3C2)=CC5=C1COC([C@@]5(CC)OC(OCC6=CC=C(C=C6)NC([C@H](CCCCN)NC(COCC(NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(CCCC#CC8=CN=C(S(C)(=O)=O)N=C8)=O)=O)=O)=O)=O)=O
InChI KeyWGCSCLOBJFRDGY-RSUVTLIVSA-N
Synonym4-((S)-2-(4-aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate;Carbonic acid, [4-[[(2S)-2-(4-aminobutyl)-35-[4-[[[6-[2-(methylsulfonyl)-5-pyrimidinyl]-1-oxo-5-hexyn-1-yl]amino]methyl]-1H-1,2,3-triazol-1-yl]-1,4,8-trioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacont-1-yl]amino]phenyl]methyl (4S)-4-ethyl-3,4,12,14-tetrahydro-11-[2-[(1-methylethyl)(methylsulfonyl)amino]ethyl]-3,14-dioxo-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-4-yl ester;TL033
CAS No.2356230-22-1

Synthetic Route by SureRoute

1. ACCVSV895 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACZDTB863 route compound structure diagram
    ACZDTB8632288710-39-2 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACCVSV895 route product structure diagram
    ACCVSV8952356230-22-1
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2. ACCVSV895 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCVSV895 route product structure diagram
    ACCVSV8952356230-22-1
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