L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide | CAS No. 80863-62-3

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide

Basic Information

CAS Number

80863-62-3

Molecular Formula

C14H25N3O4S

Molecular Weight

331.44 g/mol

AD

Basic Physical Properties

Melting Point

136-147°

Boiling Point

608.5°C at 760 mmHg

Density

1.25

Flash Point

321.8°C

Refractive Index

1.559

Specific Rotation

D25 +40 to +50° (c = 1 in water)

O=C(O)C[C@@H](C(N[C@@H](C(NC1C(C)(C)SC1(C)C)=O)C)=O)N

InChI

InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1

InChIKey

IVBOUFAWPCPFTQ-SFYZADRCSA-N

LogP

0.08190000000000153

Topological Polar Surface Area

121.52 Ų

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

465

Synonyms & References

English

  • (S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butanoic acid
  • Aclame
  • (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid
  • Alitame
  • 3-(L-Aspartyl-D-alaninamido)-2,2,4,4-tetramethylthietane
  • L-aspartyl-D-alanine 2,2,4,4-tetramethylthietanylamide
  • UNII-PCE8DAE750
  • L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide

MDL Number

MFCD00868124

Customs Code

2934999090

FAQ

What is L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3)?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide is a synthetic compound with the CAS number 80863-62-3. It is an amino acid derivative composed of L-aspartic acid and D-alanine linked through an amide bond, with a tetramethyl-3-thietanyl group attached. This compound is known for its structural complexity and is commonly used in research contexts for studying peptide interactions and biological activities.

What are the main uses of L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3)?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in biochemical studies, particularly in the investigation of enzyme kinetics and protein structure. Its unique molecular structure makes it valuable in the synthesis of peptides and as a model compound for various scientific inquiries.

Is L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3) safe?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3) is generally considered safe when handled properly in controlled laboratory settings. However, as with many chemical compounds, it should be treated with care, avoiding direct skin contact and inhalation. Safety data sheets and proper protective equipment, such as gloves and goggles, are recommended for safe handling and disposal.

How should L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3) be stored?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide (CAS: 80863-62-3) should be stored in a cool, dry, and dark place, away from moisture and air. It is best kept in a sealed container at a temperature below 25°C and in a humidity-controlled environment to maintain stability. Avoid light exposure and ensure proper ventilation when handling the compound.

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