S-(Tetrachloromethylthiophenyl)glutathione
Basic information
- CAS
87390-29-2- Standard SMILES
CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O- InChIKey
YTNWSHRKOASQFM-UHFFFAOYSA-N- Molecular formula
- C17H19Cl4N3O6S2
- Average molar mass
- 567.3 g/mol
- Monoisotopic mass
- 564.946938
Names & identifiers
- Preferred name
- S-(Tetrachloromethylthiophenyl)glutathione
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(2,3,4,5-tetrachloro-6-methylsulfanylphenyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
87390-29-2S-(Tetrachloromethylthiophenyl)glutathioneDTXSID001007522Glycine, N-(N-L-gamma-glutamyl-S-(tetrachloro(methylthio)phenyl)-L-cysteinyl)-5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[2,3,4,5-tetrachloro-6-(methylsulfanyl)phenyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline
Database identifiers
- CAS
87390-29-2- PubChem CID
- 186404
- DTXSID
DTXSID001007522
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 695
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Compound notes
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