Kki 7 - ≥95% , CAS No.113584-01-3

CAS: 113584-01-3 Cat. No.: K951433 PubChem CID: 3082667

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)C(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC2CCCCC2
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-cyclohexylacetyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
• InChIKey: CQRVUZFZOUAQCT-DJNSEWAMSA-N
• INCHI: 1S/C36H58N10O8/c1-21(2)30(35(54)43-24(31(38)50)15-16-28(37)48)46-34(53)27(20-47)45-32(51)25(14-9-17-41-36(39)40)44-33(52)26(18-22-10-5-3-6-11-22)42-29(49)19-23-12-7-4-8-13-23/h3,5-6,10-11,21,23-27,30,47H,4,7-9,12-20H2,1-2H3,(H2,37,48)(H2,38,50)(H,42,49)(H,43,54)(H,44,52)(H,45,51)(H,46,53)(H4,39,40,41)/t24-,25-,26-,27-,30-/m0/s1
• Isomere SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2CCCCC2
• Alternative CAS-Nummer: 113584-01-3
• PubChem CID: 3082667
• MeSH-Eintrag: KKI 7;KKI-7;N-cyclohexylacetyl-Phe-Arg-Ser-Val-Gln-NH2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives Glutamine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives N-acyl amines Primary carboxylic acid amides Guanidines Secondary carboxylic acid amides Carboximidamides Propargyl-type 1,3-dipolar organic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Glutamine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Benzenoid - N-acyl-amine - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 758.900 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 23
• Exact Mass: 758.444 Da
• Monoisotopic Mass: 758.444 Da
• Topological Polar Surface Area: 316.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 113584-01-3. InChIKey CQRVUZFZOUAQCT-DJNSEWAMSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.