(S)-2-((S)-2-Amino-3-methylbutanamido)-3-hydroxypropanoic acid , CAS No.13588-94-8

CAS: 13588-94-8 Cat. No.: S1453568 Molecular Weight: 204.22 EC Number: 803-017-9 PubChem CID: 139506

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(S)-2-((S)-2-Amino-3-methylbutanamido)-3-hydroxypropanoic acid is a serine 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(CO)C(=O)O)N
• IUPAC Name: 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid
• InChIKey: STTYIMSDIYISRG-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)
• Isomeric SMILES: CC(C)C(C(=O)NC(CO)C(=O)O)N
• WGK Germany: 3
• PubChem CID: 139506
• Molecular Weight: 204.22

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