Basic information
- Standard SMILES
CC(=O)SCC(C)C(=O)N1CCCC1C(=O)O- InChIKey
ZNQRGUYIKSRYCI-UHFFFAOYSA-N- Molecular formula
- C11H17NO4S
- Average molar mass
- 259.32 g/mol
Names & identifiers
- Preferred name
- (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
- IUPAC
- 1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
Names & synonyms
(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acidSCHEMBL6788431Captopril Impurity J Hydrate SaltMFCD018608521-[3-(acetylsulfanyl)-2-methylpropanoyl]proline1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 3085301
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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