Boc-Val-Ala-OH - ≥95% , CAS No.70396-18-8

CAS: 70396-18-8 Cat. No.: B589945 Formula: C₁₃H₂₄N₂O₅ Molecular Weight: 288.34

GRADE & PURITY ≥95%

Synonyms

N-(tert-Butoxycarbonyl)-L-valyl-L-alanine | (S)-2-((S)-2-((tert-Butoxycarbonyl)amino)-3-methylbutanamido)propanoic acid | FHBCSPANXVQYCP-IUCAKERBSA-N | SCHEMBL7285160 | HY-W038703 | N-[(1,1-Dimethylethoxy)carbonyl]-L-valyl-L-alanine | DTXSID90562682 | (2S

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

N-(tert-Butoxycarbonyl)-L-valyl-L-alanine | (S)-2-((S)-2-((tert-Butoxycarbonyl)amino)-3-methylbutanamido)propanoic acid | FHBCSPANXVQYCP-IUCAKERBSA-N | SCHEMBL7285160 | HY-W038703 | N-[(1,1-Dimethylethoxy)carbonyl]-L-valyl-L-alanine | DTXSID90562682 | (2S

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NC(C)C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
• InChIKey: FHBCSPANXVQYCP-IUCAKERBSA-N
• INCHI: 1S/C13H24N2O5/c1-7(2)9(10(16)14-8(3)11(17)18)15-12(19)20-13(4,5)6/h7-9H,1-6H3,(H,14,16)(H,15,19)(H,17,18)/t8-,9-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
• Molecular Weight: 288.34
• Reaxy-Rn: 46625957
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46625957&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Valine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives N-acyl amines Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Valine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-amine - Fatty acyl - Fatty amide - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 288.340 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 288.169 Da
• Monoisotopic Mass: 288.169 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 373.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 70396-18-8, the molecular formula is C13H24N2O5, and the molecular weight is 288.34 g/mol. InChIKey FHBCSPANXVQYCP-IUCAKERBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.