D-Buthionine-(S,R)-sulfoximine
Basic information
- CAS
113158-69-3- Standard SMILES
CCCCS(=N)(=O)CC[C@@H](N)C(=O)O- InChIKey
KJQFBVYMGADDTQ-SKKCEABJSA-N- Molecular formula
- C8H18N2O3S
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.10381361
Overview
D-buthionine-(S,R)-sulfoximine is a 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has R-configuration.
Names & identifiers
- Preferred name
- D-Buthionine-(S,R)-sulfoximine
- IUPAC
- (2R)-2-amino-4-(butylsulfonimidoyl)butanoic acid
- English name
- D-Buthionine-(S,R)-sulfoximine
- Molecular formula
- C8H18N2O3S
- Molecular weight
- 222.31
Names & synonyms
D-Buthionine-(S,R)-sulfoximine113158-69-3(2R)-2-amino-4-(butylsulfonimidoyl)butanoic acidD-Buthionine Sulfoximine(R)-Buthionine sulfoximine(2R)-2-amino-4-(S-butylsulfonimidoyl)butanoic acidD-BSO(R)-2-amino-4-(S-butylsulfonimidoyl)butyric acidSCHEMBL9300391DTXSID10424955CHEBI:176509AKOS015902453
Show more names
Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, [S-(R*,S*)]- (9CI)
(2R)-2-Azaniumyl-4-(butylsulfonimidoyl)butanoate(2R)-2-Amino-4-[S-(butane-1-)sulfonimidoyl]butanoic acidButanoic acid,2-amino-4-(S-butylsulfonimidoyl)-, [S-(R*,S*)]- (9CI)
Database identifiers
- CAS
113158-69-3- PubChem CID
- 6603737
- DTXSID
DTXSID10424955- ChEBI
CHEBI:176509- Nikkaji
- J729.486G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 178 °C · >178°C (dec.)
- Boiling point
- 382.311 · 382.311±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.295 · 1.295±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Aqueous Acid (Slightly, Heated Sonicated), Aqueous Base (Slightly), Water (Slightly)
- form
- Powder
- color
- White to Off-White
Chemistry & industry
Applications
UsesD-Buthionine-(S,R)-sulfoximine is a potent and specific inhibitor of alpha-glutamylcysteine synthetase.
Additional notes
DefinitionChEBI: D-buthionine-(S,R)-sulfoximine is a 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has R-configuration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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