2-(Glutathione-yl)-N,N,N',N'-tetramethyl-4-phenylenediamine
Basic information
- CAS
135909-56-7- Standard SMILES
CN(C)c1ccc(N(C)C)c(SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)c1- InChIKey
FXNNYCXNNOWOBK-KBPBESRZSA-N- Molecular formula
- C20H31N5O6S
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.1995049
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(Glutathione-yl)-N,N,N',N'-tetramethyl-4-phenylenediamine
- IUPAC
- (4S)-4-amino-5-[[(2R)-3-[2,5-bis(dimethylamino)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- 2-(glutathione-yl)-N,N,N',N'-tetramethyl-4-phenylenediamine
- Molecular formula
- C20H31N5O6S
- Molecular weight
- 469.55
Names & synonyms
2-GS-Tmpd135909-56-72-(Glutathione-yl)-N,N,N',N'-tetramethyl-4-phenylenediamineDTXSID50159592RefChem:84728DTXCID9082083N-(S-(2,5-Bis(dimethylamino)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycineL-alpha-Glutamyl-S-[2,5-bis(dimethylamino)phenyl]-L-cysteinylglycineGlycine, N-(S-(2,5-bis(dimethylamino)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)-Glycine, N-[S-[2,5-bis(dimethylamino)phenyl]-N-L-γ-glutamyl-L-cysteinyl]- (9CI)
Database identifiers
- CAS
135909-56-7- PubChem CID
- 3036073
- DTXSID
DTXSID50159592
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Boiling point
- 830.9 · 830.9±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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