N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine

CAS Registry Number®

135038-59-4

CAS Name

N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine

Molecular Formula

C14H17NO5S

Molecular Mass

311.35

Cite this Page

N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135038-59-4 (retrieved 2024-11-25) (CAS RN: 135038-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1

InChIKey

InChIKey=TXSINLUUGRGAJO-WCBMZHEXSA-N

SMILES

C([C@@H](C(N[C@H](C(O)=O)C)=O)CS)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=C(O)C(NC(=O)C(CS)CC1=CC=C2OCOC2=C1)C

Other Names for this Substance

  • L-Alanine, N-[(2S)-3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-
  • L-Alanine, N-[3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-, (S)-
  • N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine
  • Alatrioprilat
  • Aladotrilat

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