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(3S,6R,11R,14S,20S,23S,31aS)-11-Amino-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dith iaoctaazacyclononacosine-6-carboxylic acid(CAS: 1392278-76-0)

(3S,6R,11R,14S,20S,23S,31aS)-11-Amino-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dith
iaoctaazacyclononacosine-6-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C35H57N13O14S2
Molecular Weight
948.05 g/mol

Chemical Identifiers

SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCNC(=N)N)N)C(=O)O)CC(=O)O
InChIKey
YHTTWXCDIRTOQX-FQJIPJFPSA-N

Database References

MDL Number
MFCD31657451

FAQ

This compound exhibits a crystalline form with a molecular weight of approximately 1621.4 g/mol. It has limited water solubility, with a very low solubility in water (0.01 g/L at 25°C). The compound is highly reactive due to its multiple functional groups, particularly the carboxylic acid and amine functionalities. It is susceptible to hydrolysis and can react with bases and acids to form salts and derivatives.
The synthesis of this compound involves multi-step organic transformations including amide formation, aminolysis, and condensation reactions. Commonly used catalysts include Lewis acids and transition metal complexes. The synthesis typically yields a product with high purity, but requires precise control of reaction conditions to achieve the desired stereoisomer selectivity and high yield.
This compound is primarily used in pharmaceutical applications, particularly in the development of targeted drug delivery systems. It can also find applications in polymer synthesis as a functional monomer, and in the fabrication of sensors and semiconductors due to its unique chemical structure and reactivity.
Handling this compound requires the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be carefully managed using absorbent materials, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed information on handling, storage, and disposal procedures. Storage should be in a cool, dry place, away from sources of heat and incompatible materials.

Safety Notice

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

Always follow proper handling procedures

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