Hexapeptide-9 - ≥98%, contains

CAS: 885024-94-2 Cat. No.: H1281717 Molecular Weight: 582.6 PubChem CID: 16129319

GRADE & PURITY ≥98%, contains <8%H2O

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%, contains <8%H2O

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(N(C1)C(=O)CN)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)O
• IUPAC Name: (2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
• InChIKey: OGNHOGPWQTWKGQ-VGWMRTNUSA-N
• INCHI: 1S/C24H38N8O9/c25-11-19(35)31-9-1-3-15(31)22(38)29-13(5-7-17(26)33)21(37)28-12-20(36)32-10-2-4-16(32)23(39)30-14(24(40)41)6-8-18(27)34/h13-16H,1-12,25H2,(H2,26,33)(H2,27,34)(H,28,37)(H,29,38)(H,30,39)(H,40,41)/t13-,14-,15-,16-/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O
• Alternate CAS: 885024-94-2
• PubChem CID: 16129319
• Molecular Weight: 582.6

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: Glutamine and derivatives Proline and derivatives Alpha amino acid amides N-acyl-L-glutamines Pyrrolidinecarboxamides N-acylpyrrolidines Heterocyclic fatty acids N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Glutamine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - N-acyl-l-glutamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Heterocyclic fatty acid - Fatty acid - Fatty acyl - N-acyl-amine - Fatty amide - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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: 582.600 g/mol
• XLogP3: -6.800
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 582.276 Da
• Monoisotopic Mass: 582.276 Da
• Topological Polar Surface Area: 277.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1050.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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