Cas no 13433-02-8 ((S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid)

(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid is a chiral amino acid derivative featuring both carboxyl and amide functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its stereospecific (S)-configuration ensures high enantiopurity, which is critical for asymmetric synthesis and drug development. The compound’s bifunctional structure allows for selective modifications, enabling its use in peptide coupling and as a building block for bioactive molecules. Its water solubility and stability under physiological conditions further enhance its utility in biochemical research. This compound is particularly valuable in designing enzyme inhibitors or prodrugs due to its structural resemblance to natural amino acids.
(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid structure
13433-02-8 structure
Product Name:(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid
CAS No:13433-02-8
MF:C7H12N2O5
MW:204.180582046509
MDL:MFCD00037231
CID:200098
PubChem ID:5491963
Update Time:2025-05-24

(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid
    • H-ASP-ALA-OH
    • H-Asp-β-Ala-OH
    • L-ASPARTIC ACID-L-ALANINE
    • ASP-ALA
    • L-aspartyl-alanine
    • alpha-aspartylalanine
    • CS-0655388
    • Aspartyl-Alanine
    • (3S)-3-AMINO-3-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}PROPANOIC ACID
    • (S)-3-Amino-N-((S)-1-carboxy-ethyl)-succinamic acid
    • Q27144144
    • (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoicacid
    • MFCD00037231
    • L-Asp-L-Ala
    • DTXSID10928569
    • (3S)-3-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
    • BDBM50169166
    • N-L-alpha-Aspartyl-L-alanine
    • CHEMBL17503
    • 3-Amino-N-((S)-1-carboxy-ethyl)-succinamic acid
    • CHEBI:73826
    • aspartylalanine
    • L-alpha-aspartyl-L-alanine
    • SCHEMBL3341838
    • F77605
    • 13433-02-8
    • L-Aspartyl-L-Alanine
    • L-Alanine,l-a-aspartyl-
    • 3-Amino-4-[(1-carboxyethyl)imino]-4-hydroxybutanoic acid
    • alpha-Asp-ala
    • HY-P4603
    • 3-Amino-3-((1-carboxyethyl)-C-hydroxycarbonimidoyl)propanoate
    • (3S)-3-amino-4-(((1S)-1-carboxyethyl)amino)-4-oxobutanoic acid
    • 3-Amino-3-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]propanoate
    • DA dipeptide
    • Aspartate-Alanine dipeptide
    • DVUFTQLHHHJEMK-IMJSIDKUSA-N
    • D-A Dipeptide
    • DA-74014
    • MDL: MFCD00037231
    • Inchi: 1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
    • InChI Key: DVUFTQLHHHJEMK-IMJSIDKUSA-N
    • SMILES: O=C([C@H](CC(=O)O)N)N[C@H](C(=O)O)C

Computed Properties

  • Exact Mass: 204.07500
  • Monoisotopic Mass: 204.07462149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.1
  • Topological Polar Surface Area: 130?2

Experimental Properties

  • PSA: 129.72000
  • LogP: -0.53110

(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid Security Information

  • WGK Germany:3

(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A653430-10mg
(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic Acid
13433-02-8
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$ 173.00 2023-04-19
TRC
A653430-50mg
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A653430-100mg
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$ 1378.00 2023-04-19
abcr
AB476572-250 mg
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€257.50 2022-05-20
abcr
AB476572-1 g
H-Asp-Ala-OH; .
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€674.00 2022-05-20
Ambeed
A587831-100mg
(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid
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Ambeed
A587831-250mg
(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid
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Ambeed
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(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid
13433-02-8 95%
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$284.0 2024-04-24
Aaron
AR009CSP-10mg
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$42.00 2025-02-12
Aaron
AR009CSP-50mg
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(S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid Related Literature

Additional information on (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid

Compound CAS No. 13433-02-8: (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic Acid

The compound with CAS No. 13433-02-8, known as (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid, is a structurally complex amino acid derivative. This molecule has garnered significant attention in the fields of biochemistry and pharmacology due to its unique properties and potential applications. The compound's structure includes two chiral centers, which contribute to its stereochemical complexity and functional diversity.

Recent studies have highlighted the role of (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid in metabolic engineering and biocatalysis. Researchers have explored its ability to serve as a precursor for the synthesis of bioactive compounds, leveraging its amino and carboxylic acid functionalities. For instance, in a 2023 study published in Nature Biotechnology, this compound was utilized as a building block for constructing novel peptide-based drugs with enhanced stability and bioavailability.

The stereochemistry of this compound plays a pivotal role in its biological activity. The (S) configuration at both chiral centers ensures optimal interactions with target proteins, making it a promising candidate for drug design. In a groundbreaking study conducted at the University of California, researchers demonstrated that this compound could inhibit a specific enzyme involved in neurodegenerative diseases, showcasing its potential therapeutic applications.

Moreover, the compound's ability to form stable amide bonds has made it valuable in peptide synthesis. Its use in solid-phase peptide synthesis (SPPS) has been optimized to improve yield and purity, as reported in a 2023 article in Journal of Organic Chemistry. This advancement has significant implications for the development of peptide-based vaccines and therapeutics.

In terms of industrial applications, (S)-3-Amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid has been explored for its role in enhancing microbial production of high-value chemicals. By incorporating this compound into fermentation processes, researchers have achieved higher yields of desired metabolites, contributing to sustainable chemical manufacturing.

The synthesis of this compound involves multi-step reactions that require precise control over stereochemistry and reaction conditions. Recent advancements in asymmetric catalysis have enabled more efficient and scalable production methods, reducing costs and improving accessibility for research and commercial applications.

In conclusion, CAS No. 13433-02-8 represents a versatile molecule with diverse applications across multiple disciplines. Its unique structure, stereochemical properties, and functional groups make it an invaluable tool in modern biochemical research and industrial processes. As ongoing studies continue to uncover new insights into its potential uses, this compound is poised to play an increasingly important role in advancing science and technology.

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