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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid(CAS: 160295-81-8)

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CAS Number

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Basic Information

Molecular Formula
C53H79N13O10
Molecular Weight
1058.28 g/mol

Chemical Identifiers

SMILES
CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N
InChIKey
PQGCYSRGXCORLN-RJXLGPPMSA-N

Database References

MDL Number
MFCD00943339

FAQ

This compound is a complex organic acid with a high molecular weight. It exists in a crystalline form and possesses a high solubility in polar solvents like methanol and dimethyl sulfoxide. The compound is reactive towards nucleophiles and electrophiles and is stable in acidic and neutral conditions but may hydrolyze in basic media.
The synthesis of this compound typically involves multi-step peptide synthesis using solid-phase methods. Commonly, a protected amino acid is first synthesized, followed by sequential coupling reactions and deprotection steps. The use of coupling reagents such as HATU and protecting groups like Boc or Fmoc is typical in such syntheses. The final product is obtained with high yield and selectivity, though the process is complex and requires careful optimization.
This compound is primarily used in the pharmaceutical industry for the development of novel drugs. Its structural complexity and specific functional groups make it suitable for designing and synthesizing bioactive compounds. It may also find applications in the development of sensors and semiconductors due to its unique chemical properties.
When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. It should be stored in a fume hood to minimize exposure to air. In case of a spill, it should be handled with care and neutralized using appropriate reagents before disposal. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal 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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