Aladotril

Catalog No. :
ACQQZB628
CAS No. :
173429-64-6
Molecular Formula :
C21H23NO5S
Molecular Weight :
401.48

IUPAC Name:benzyl ((S)-3-(benzo[d][1,3]dioxol-5-yl)-2-(mercaptomethyl)propanoyl)-L-alaninate

Aladotril structure diagram
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Product Information

Product NameAladotril
IUPAC Namebenzyl ((S)-3-(benzo[d][1,3]dioxol-5-yl)-2-(mercaptomethyl)propanoyl)-L-alaninate
Molecular FormulaC21H23NO5S
Molecular Weight401.48
SMILESC[C@H](NC(=O)[C@@H](CS)CC1=CC=C2OCOC2=C1)C(=O)OCC1=CC=CC=C1
InChI KeyJHQKLXNTEQHOHI-WMLDXEAASA-N
SynonymL-Alanine, N-[(2S)-3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-, phenylmethyl ester;BP 1137;BP1137;BP-1137
CAS No.173429-64-6

Synthetic Route by SureRoute

1. ACQQZB628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Then
  3. ACQQZB628 route product structure diagram
    ACQQZB628173429-64-6
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2. ACQQZB628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACQQZB628 route product structure diagram
    ACQQZB628173429-64-6
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