N5-(1-carboxy-2-(((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)sulfinyl)ethyl)glutamine
Basic information
- CAS
12705-98-5- Standard SMILES
CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O- InChIKey
YJXVNZXKWINDJO-UHFFFAOYSA-N- Molecular formula
- C12H22N2O10S4
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.0157296
Names & identifiers
- Preferred name
- N5-(1-carboxy-2-(((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)sulfinyl)ethyl)glutamine
- IUPAC
- 2-amino-5-[[1-carboxy-2-(methylsulfonylmethylsulfinylmethylsulfinylmethylsulfinyl)ethyl]amino]-5-oxopentanoic acid
Names & synonyms
NSC345718orb1985878CHEMBL2002067SCHEMBL31006263DTXSID501317625AKOS040752472NSC-345718N5-(1-carboxy-2-(((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)sulfinyl)ethyl)glutamineNCI60_003074HY-126557T32634gamma-Glutamyl-3-({[(methanesulfonyl)methanesulfinyl]methanesulfinyl}methanesulfinyl)alanine
Show more names
15-amino-10-carboxy-12-oxo-2,4,6,8-tetrathia-11-azahexadecan-16-oic acid-2,2,4,6,8-pentaoxide2-amino-5-[[2-hydroxy-1-(methylsulfonylmethylsulfinylmethylsulfinylmethylsulfinylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Database identifiers
- CAS
12705-98-5- PubChem CID
- 335576
- DTXSID
DTXSID501317625- ChEMBL
CHEMBL2002067
Properties
Computed structural properties
- XLogP
- -7
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 761
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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