Captopril Impurity 34

HCID 689017

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Basic information

CAS: 224626-08-8
Standard SMILES: CC(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O
InChIKey: ZNQRGUYIKSRYCI-IONNQARKSA-N
Molecular formula: C11H17NO4S
Average molar mass: 259.32 g/mol
Monoisotopic mass: 259.0878292

Names & identifiers

Preferred name: Captopril Impurity 34
IUPAC: (2R)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Names & synonyms

Captopril Impurity 34224626-08-8(R)-1-((R)-3-(acetylthio)-2-methylpropanoyl)pyrrolidine-2-carboxylic acidSCHEMBL67868451-[(2R)-3-(Acetylthio)-2-methyl-1-oxopropyl]-D-prolineZNQRGUYIKSRYCI-IONNQARKSA-NDTXSID8012089601-[(2R)-3-(Acetylsulfanyl)-2-methylpropanoyl]-D-proline1-[(R)3-Acetylsulfanyl-2-methyl-propionyl]-(R)-pyrrolidine-2-carboxylic acid

Database identifiers

CAS: 224626-08-8
PubChem CID: 689017
DTXSID: DTXSID801208960
EC Number: 607-084-3

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 331

Related reactions

1 records

New reaction record

HRID 1871700As productuspto-grants-2000_08

Compound notes

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