1-[(2r)-3-(Acetylsulfanyl)-2-methylpropanoyl]-l-proline
Basic information
- CAS
65167-28-4- Standard SMILES
CC(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
ZNQRGUYIKSRYCI-CBAPKCEASA-N- Molecular formula
- C11H17NO4S
- Average molar mass
- 259.32 g/mol
- Monoisotopic mass
- 259.0878292
Names & identifiers
- Preferred name
- 1-[(2r)-3-(Acetylsulfanyl)-2-methylpropanoyl]-l-proline
- IUPAC
- (2S)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
- English name
- (R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline
- Molecular formula
- C11H17NO4S
- Molecular weight
- 259.32
Names & synonyms
65167-28-41-[(2r)-3-(acetylsulfanyl)-2-methylpropanoyl]-l-prolineEINECS 265-586-4(2S)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid((R)-3-(Acetylthio)-2-methylpropanoyl)-L-proline(R)-1-(3-(Acetylthio)-2-methyl-1-oxopropyl)-L-prolineL-Proline, 1-(3-(acetylthio)-2-methyl-1-oxopropyl)-, (R)-ZNQRGUYIKSRYCI-CBAPKCEASA-NDTXSID001207782AKOS0158955831-[(2R)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-prolineCaptopril Impurity 39
Show more names
Captopril Related Compound 7N-(3-ACETYLTHIO-2R-METHYLPROPIONYL)-L-PROLINE(R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline1-[(R)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-prolineN-(3-ACETYLTHIO-2R-METHYLPROPIONYL)-L-PROLINECAPTOPRILL-Proline, 1-[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]-
Database identifiers
- CAS
65167-28-4- PubChem CID
- 689015
- DTXSID
DTXSID001207782- EC Number
- 265-586-4
- Nikkaji
- J307.320C
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
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Compound notes
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