Basic information
- CAS
686-58-8- Standard SMILES
NC(CCC(=O)NC(CS)C(=O)O)C(=O)O- InChIKey
RITKHVBHSGLULN-UHFFFAOYSA-N- Molecular formula
- C8H14N2O5S
- Average molar mass
- 250.27 g/mol
- Monoisotopic mass
- 250.06234272
Overview
2-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid is a dipeptide.
Names & identifiers
- Preferred name
- 2-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
- IUPAC
- 2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
Names & synonyms
686-58-8N5-(1-Carboxy-2-mercaptoethyl)glutamine2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid857793-65-8GAMMA-GLU-CYS TRIFLUOROACETATE SALTMFCD00237863N-gamma-GlutamylcysteineGlutathione Impurity 35SCHEMBL121500(Des-Gly)-Glutathione (reduced) ammonium saltCERAPP_28431DTXSID70862334
Show more names
CHEBI:181725GAMMA-GLU-CYSTRIFLUOROACETATESALT(Des-Gly)-Glutathione (reduced) trifluoroacetate salt2-amino-5-[(1-carboxy-2-sulanylethyl)amino]-5-oxopentanoic acid2-amino-5-[(1-carboxy-2-sulfanyl-ethyl)amino]-5-oxo-pentanoic acid
Database identifiers
- CAS
686-58-8- PubChem CID
- 842
- DTXSID
DTXSID70862334- ChEBI
CHEBI:181725- EC Number
- 614-703-0
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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