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Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate}(CAS: 85921-53-5)

Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate}
CAS Number

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Basic Information

Molecular Formula
C38H58CaN4O10S2
Molecular Weight
835.1 g/mol

Physical Properties

Melting Point
~190°

Chemical Identifiers

SMILES
CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)[O-].CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)[O-].[Ca+2]
InChIKey
CUZMQPZYCDIHQL-VCTVXEGHSA-L

Database References

FAQ

Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is a crystalline compound with a molecular weight of approximately 750 g/mol. It has a high solubility in water and organic solvents. The compound is relatively stable under normal conditions but may react with strong acids and bases. It is used in the synthesis of peptide drugs and as a chelating agent.
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is synthesized via a multi-step process involving peptide coupling, esterification, and calcium complexation. The reaction is catalyzed by a transition metal to achieve high yield and selectivity. Common solvents include DMF and dichloromethane.
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is primarily used in the pharmaceutical industry for the development of peptide-based drugs. It is also utilized in the chemical and polymer industries for manufacturing chelating agents and stabilizers.
When handling Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate}, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work in a fume hood to avoid inhalation. In case of spill, clean up with caution using appropriate absorbents, and follow standard safety procedures. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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