(S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate | CAS No. 868539-99-5

(S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate

Basic Information

CAS Number

868539-99-5

Molecular Formula

C28H36F3N3O6

Molecular Weight

567.6 g/mol

AD

Basic Physical Properties

OC(=O)C(F)(F)F.COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)N)CC(C)C)Cc1ccccc1

InChI

InChI=1S/C26H35N3O4.C2HF3O2/c1-18(2)16-22(28-24(30)21(27)15-14-19-10-6-4-7-11-19)25(31)29-23(26(32)33-3)17-20-12-8-5-9-13-20;3-2(4,5)1(6)7/h4-13,18,21-23H,14-17,27H2,1-3H3,(H,28,30)(H,29,31);(H,6,7)/t21-,22-,23-;/m0./s1

InChIKey

LAPJYAIMBWUZSL-RGRVRPFLSA-N

LogP

3.0112000000000014

Topological Polar Surface Area

147.82 Ų

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

696

Synonyms & References

English

  • (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate trifluoroacetate
  • (αS)-α-Aminobenzenebutanoyl-L-leucyl-L-phenylalanine Methyl Ester Mono(trifluoroacetate)
  • (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate
  • (alphaS)-alpha-Aminobenzenebutanoyl-L-leucyl-L-phenylalanine methyl ester mono(trifluoroacetate)
  • (S)-Methyl 2-((S)-2-((S)-2-aMino-4-phenylbutanaMido)-4-MethylpentanaMido)-3-phenylpropanoate trifluoroacetic acid
  • methyl ((S)-2-amino-4-
  • Methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropa

MDL Number

MFCD28387169

FAQ

What are the physical and chemical properties of (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate (CAS: 868539-99-5)?

This compound is a white crystalline solid with a molecular weight of approximately 671.6 g/mol. It has a high solubility in organic solvents like DMSO and poor solubility in water. Chemically, it is highly reactive, especially towards nucleophiles and bases. It is stable under normal conditions but requires storage under nitrogen to prevent oxidation.

How is (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate (CAS: 868539-99-5) typically synthesized?

This compound is typically synthesized via a multi-step process involving amidation and esterification reactions. The key steps include the synthesis of the amino acid precursor, its coupling with the appropriate alcohol, and the final esterification with methyl trifluoroacetate. The reaction conditions and catalysts are optimized to achieve high yields and selectivity.

What industries use (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate (CAS: 868539-99-5)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It is also relevant in the synthesis of certain polymers and sensors, where its unique chemical properties are exploited for specific applications. However, its use in other industries such as semiconductors is limited due to its complex molecular structure and limited reactivity.

What precautions should be taken when handling (S)-Methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate 2,2,2-trifluoroacetate (CAS: 868539-99-5)?

When handling this compound, proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. It should be stored in a cool, dry place away from sources of heat and light. Fume hood use is recommended during any handling or synthesis. In case of spill, the area should be ventilated and the spill cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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