Substance P (9-11) - ≥98% , CAS No.40297-96-9

CAS: 40297-96-9 Cat. No.: S339386 Molecular Weight: 354.93 PubChem CID: 13386697

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767392
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767392
• Canonical Smiles: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CN.Cl
• IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide;hydrochloride
• InChIKey: MBMAGTQNPFSIDF-IYPAPVHQSA-N
• INCHI: 1S/C13H26N4O3S.ClH/c1-8(2)6-10(16-11(18)7-14)13(20)17-9(12(15)19)4-5-21-3;/h8-10H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20);1H/t9-,10-;/m0./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN.Cl
• PubChem CID: 13386697
• Molecular Weight: 354.93

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: Methionine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-acyl amines Secondary carboxylic acid amides Primary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Leucine or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-amine - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Sulfenyl compound - Thioether - Dialkylthioether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary aliphatic amine - Primary amine - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aliphatic acyclic 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

• Solubility: Soluble in water (10 mg/ml-clear, colorless solution).
• Refractive Index: n20D~1.53 (Predicted)
• Molecular Weight: 354.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 354.149 Da
• Monoisotopic Mass: 354.149 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 363.000
• 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: 2

XLogP3