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(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

Catalog No. :
ACOUIJ638
CAS No. :
2938169-76-5
Molecular Formula :
C50H62N14O6S2
Molecular Weight :
1019.27

IUPAC Name:(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide structure diagram
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Product Name(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
IUPAC Name(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
Molecular FormulaC50H62N14O6S2
Molecular Weight1019.27
SMILESC[C@@]1(C2=NC(C3=NC(N4[C@H](CN(CCC4)CCCCOC5=CN(N=N5)[C@@H](C(C)C)C(N6[C@@H](C[C@H](C6)O)C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)CO)=O)=O)C)=NC=C3)=NO2)C9=C(CCC1)SC(N)=C9C#N
InChI KeyDQRZNYPHOWVXPQ-YDUPODKQSA-N
SynonymACBI3;2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-amino-3-cyano-4,5,6,7-tetrahydro-4-methylbenzo[b]thien-4-yl]-1,2,4-oxadiazol-3-yl]-2-pyrimidinyl]hexahydro-3-methyl-1H-1,4-diazepin-1-yl]butoxy]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-;(2S,4R)-1-((S)-2-(4-(4-((S)-4-(4-(5-((S)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepan-1-yl)butoxy)-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl)-4-hydroxy-N-((R)-2-hydroxy-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
CAS No.2938169-76-5

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACOUIJ638 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. ACOUIJ638 route product structure diagram
    ACOUIJ6382938169-76-5
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2. ACOUIJ638 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACXCJO213 route compound structure diagram
    ACXCJO2132410315-05-6 In Stock
  4. Then
  5. ACOUIJ638 route product structure diagram
    ACOUIJ6382938169-76-5
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