(2S,3R)-2-((S)-2-Amino-3-methylbutanamido)-3-hydroxybutanoic acid , CAS No.72636-02-3

CAS: 72636-02-3 Cat. No.: S1453246 Molecular Weight: 218.25 PubChem CID: 9815826

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(2S,3R)-2-((S)-2-Amino-3-methylbutanamido)-3-hydroxybutanoic acid is a threonine derivative.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NC(C(C)O)C(=O)O)N
• IUPAC Name: (2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
• InChIKey: GVRKWABULJAONN-VQVTYTSYSA-N
• INCHI: 1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N)O
• WGK Germany: 3
• PubChem CID: 9815826
• Molecular Weight: 218.25

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 Short-chain hydroxy acids and derivatives Hydroxy fatty acids Beta hydroxy acids and derivatives Branched fatty acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Valine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Short-chain hydroxy acid - Fatty amide - Hydroxy acid - N-acyl-amine - Fatty acyl - Fatty acid - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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