2-Carboxy-1-methylethylmercapturic acid

CAS Registry Number®

33164-65-7
No image available.

CAS Name

2-Carboxy-1-methylethylmercapturic acid

Molecular Formula

C9H15NO5S

Molecular Mass

249.28

Cite this Page

2-Carboxy-1-methylethylmercapturic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=33164-65-7 (retrieved 2024-05-06) (CAS RN: 33164-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H15NO5S/c1-5(3-8(12)13)16-4-7(9(14)15)10-6(2)11/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)/t5?,7-/m0/s1

InChIKey

InChIKey=NZLXIGKXJUXPAV-MSZQBOFLSA-N

SMILES

[C@@H](CSC(CC(O)=O)C)(NC(C)=O)C(O)=O

Canonical SMILES

O=C(O)CC(SCC(NC(=O)C)C(=O)O)C

Other Names for this Substance

  • Butanoic acid, 3-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-
  • Butyric acid, 3-[(2-acetamido-2-carboxyethyl)thio]-, L-
  • L-Cysteine, N-acetyl-S-(2-carboxy-1-methylethyl)-
  • 3-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]butanoic acid
  • 2-Carboxy-1-methylethylmercapturic acid

View All

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser