Benzyl ((1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate

Catalog No. :
ACBSIB002
CAS No. :
1408335-73-8
Molecular Formula :
C26H31N3O4
Molecular Weight :
449.55

IUPAC Name:benzyl ((1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate

Benzyl ((1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate structure diagram
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Product Information

Product NameBenzyl ((1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate
IUPAC Namebenzyl ((1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate
Molecular FormulaC26H31N3O4
Molecular Weight449.55
SMILESN#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C12CC3CC(CC(O)(C3)C1)C2
InChI KeyDSLXQSYLYSTVKT-IBTFFAOSSA-N
SynonymDSLXQSYLYSTVKT-ONZQNKQFSA-N;Carbamic acid, N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-, phenylmethyl ester;Saxagliptin Impurity 54
CAS No.1408335-73-8

Synthetic Route by SureRoute

1. ACBSIB002 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Then
  3. ACBSIB002 route product structure diagram
    ACBSIB0021408335-73-8
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2. ACBSIB002 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Plus
  5. reactant_3 route compound structure diagram
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  6. Then
  7. ACBSIB002 route product structure diagram
    ACBSIB0021408335-73-8
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