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(3R,5S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate

Catalog No. :
ACWYIW931
CAS No. :
2704602-92-4
Molecular Formula :
C58H75ClN12O12S2
Molecular Weight :
1231.90

IUPAC Name:(3R,5S)-1-((S)-2-(tert-butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate

(3R,5S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate structure diagram
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Product Information

Product Name(3R,5S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate
IUPAC Name(3R,5S)-1-((S)-2-(tert-butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate
Molecular FormulaC58H75ClN12O12S2
Molecular Weight1231.90
SMILESO=C(O[C@H]1CN(C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@H]2C3=NN=C(C)N3C4=C(C(C)=C(C)S4)C(C5=CC=C(Cl)C=C5)=N2)=O)=O)=O)[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C1)COCCOCCOCCN=[N+]=[N-]
InChI KeyWMOYJXQCSDGERS-WVLZNWKQSA-N
Synonym(3R,5S)-1-[(2S)-2-(2-{2-[2-(2-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,?]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-5-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-3-yl 2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}acetate;(3R,5S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-5-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-3-yl 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)acetate
CAS No.2704602-92-4

Safety Data

Pictogram
FlammableHarmful or irritant
Signal Word
Gefahr
Hazard Statement(s)
H228-H315-H319
Precautionary Statement(s)
P210-P240-P241-P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378

Synthetic Route by SureRoute

1. ACWYIW931 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACJNGM708 route compound structure diagram
    ACJNGM708202592-23-2 In Stock
  4. Then
  5. ACWYIW931 route product structure diagram
    ACWYIW9312704602-92-4 In Stock
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2. ACWYIW931 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. ACWYIW931 route product structure diagram
    ACWYIW9312704602-92-4 In Stock
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