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(2S,5R,6R)-6-({(2R)-2-[({2-[(Carboxycarbonyl)(ethyl)amino]ethyl}carbamoyl)amino]-2-phenylacetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(CAS: 64844-70-8)

(2S,5R,6R)-6-({(2R)-2-[({2-[(Carboxycarbonyl)(ethyl)amino]ethyl}carbamoyl)amino]-2-phenylacetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C23H29N5O8S
Molecular Weight
535.58 g/mol

Chemical Identifiers

SMILES
CCN(CCNC(=O)N[C@H](C1=CC=CC=C1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@H](C(O)=O)N2C1=O)C(=O)C(O)=O
InChIKey
YXRSTHOXBOCROS-BKEDOTJMSA-N

Database References

FAQ

This compound is a white to off-white crystalline solid with a molecular weight of approximately 700 g/mol. It is poorly water-soluble but soluble in organic solvents such as methanol and DMSO. Reactivity is moderate, with potential for ester and amide formation under certain conditions. It is stable under normal laboratory conditions but should be stored away from strong acids and bases.
The compound is often synthesized via multi-step reactions involving peptide coupling and amide formation. Commonly, a protected amino acid is coupled to a linker, followed by coupling with an activated carboxylic acid derivative. High-yield methods typically use standard protecting group chemistry and are catalyzed with moderate to strong bases under anhydrous conditions.
This compound is primarily used in the pharmaceutical industry for developing targeted drug delivery systems and as an intermediate in bioactive molecule synthesis. It may also have applications in polymer chemistry for special coatings and sensors, though specific applications are limited due to its complex structure.
When handling this compound, ensure use of appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to laboratory waste protocols. Refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

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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