Acetyl-Ser-Asp-Lys-Pro - ≥97% , CAS No.127103-11-1

CAS: 127103-11-1 Cat. No.: A1309718 Molecular Weight: 487.5

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O
• IUPAC Name: 1-[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
• InChIKey: HJDRXEQUFWLOGJ-UHFFFAOYSA-N
• INCHI: 1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)
• Molecular Weight: 487.5

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Aspartic acid and derivatives N-acyl-alpha amino acids Proline and derivatives Alpha amino acid amides Serine and derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Hydroxy fatty acids Heterocyclic fatty acids N-acyl amines Dicarboxylic acids and derivatives Acetamides Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Fatty acid - N-acyl-amine - Acetamide - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Carboxylic acid - Azacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Alcohol - Primary aliphatic amine - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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: 487.500 g/mol
• XLogP3: -5.400
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 487.228 Da
• Monoisotopic Mass: 487.228 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 776.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1