S)-α-Amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid

CAS Registry Number®

64192-68-3
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CAS Name

S)-α-Amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid

Molecular Formula

C9H9NO5

Molecular Mass

211.17

Cite this Page

S)-α-Amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=64192-68-3 (retrieved 2024-04-27) (CAS RN: 64192-68-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

InChIKey

InChIKey=AGMJSPIGDFKRRO-YFKPBYRVSA-N

SMILES

C([C@@H](C(O)=O)N)C=1C(=O)C=C(O)C(=O)C1

Canonical SMILES

O=C1C=C(C(=O)C=C1O)CC(N)C(=O)O

Other Names for this Substance

  • 1,4-Cyclohexadiene-1-propanoic acid, α-amino-4-hydroxy-3,6-dioxo-, (αS)-
  • 1,4-Cyclohexadiene-1-propanoic acid, α-amino-4-hydroxy-3,6-dioxo-, (S)-
  • S)-α-Amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid
  • p-Topaquinone
  • TPQ

Deleted or Replaced CAS Registry Numbers

141109-78-6, 147648-38-2

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