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N~2~-[(1-Carboxy-2-phenylethyl)carbamoyl]-N~5~-(diaminomethylene)-L-ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valinamide dihydrochloride(CAS: 37682-72-7)

N~2~-[(1-Carboxy-2-phenylethyl)carbamoyl]-N~5~-(diaminomethylene)-L-ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valinamide dihydrochloride
CAS Number

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Basic Information

Molecular Formula
C27H46Cl2N10O6
Molecular Weight
677.64 g/mol

Physical Properties

Boiling Point
652.92°C (rough estimate)
Flash Point
°C
Water Solubility
0.01M in water

Chemical Identifiers

SMILES
CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.Cl.Cl
InChIKey
YAHXZYICKJUJEO-BXLPLHKWSA-N

Database References

MDL Number
MFCD00135957

FAQ

This compound is a dihydrochloride salt with a crystalline form. Its molecular weight is approximately 886.8 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is known to be chemically reactive, particularly towards nucleophiles, and can participate in condensation reactions and esterification due to the presence of carboxylic acid and amide groups.
This compound is typically synthesized through multi-step reactions involving condensation and amidation. Commonly used catalysts include strong bases like sodium hydride and triethylamine. The overall yield of the synthesis is moderate, around 60-70%, with high selectivity towards the desired product. The exact synthesis route is complex and involves several intermediate steps.
This compound is primarily used in the pharmaceutical industry due to its structural complexity and potential bioactivity. It may also have applications in polymer synthesis, as it can be used as a monomer. Additionally, due to its chemical structure, it could be utilized in the development of sensors and semiconductors, though its specific use cases in these industries are limited.
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Safety data sheets (SDS) should be consulted for detailed information on handling, storage, and disposal. This compound is reactive, so additional precautions should be taken to avoid reactions with other chemicals or environmental conditions.

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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Tang Silei

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