(2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxoethyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Basic information
- CAS
73322-71-1- Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)CSC[C@H](N)C(=O)N(CC(=O)O)C(=O)CC[C@H](N)C(=O)O)cc1- InChIKey
JUILQQZYAXAGPV-STQMWFEESA-N- Molecular formula
- C18H22N6O7S
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.12706824
Names & identifiers
- Preferred name
- (2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxoethyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
- IUPAC
- (2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxoethyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
- English name
- S-(p-Azidophenacyl)glutathione
- Molecular formula
- C18H22N6O7S
- Molecular weight
- 466.47
Names & synonyms
(2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxoethyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acidS-[2-(4-Azidophenyl)-2-oxoethyl]-L-cysteinyl-N-(L-gamma-glutamyl)glycineS-(p-Azidophenacyl)glutathioneS-(4-azidophenacyl)glutathione
Database identifiers
- CAS
73322-71-1- PubChem CID
- 126348
- DTXSID
DTXSID00994051
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 765
Physicochemical properties
- Melting point
- 159 °C · >159°C (dec.)
- storage temp.
- 2 · 2-8°C
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesS-(p-Azidophenacyl)glutathione is an inhibitor used in photolabeling of human and murine multidrug resistance protein 1.
Additional notes
DefinitionChEBI: S-(4-Azidophenacyl)glutathione is a peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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