Pyroglutamyllysyltryptophylalanylproline - ≥95% , CAS No.30505-63-6

CAS: 30505-63-6 Cat. No.: P985125 PubChem CID: 5748613

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)NC(=O)C4CCC(=O)N4

IUPAC Name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

InChIKey

NINBLKUXZROFMZ-KELSAIANSA-N

INCHI

1S/C30H41N7O7/c1-17(29(42)37-14-6-10-24(37)30(43)44)33-28(41)23(15-18-16-32-20-8-3-2-7-19(18)20)36-26(39)21(9-4-5-13-31)35-27(40)22-11-12-25(38)34-22/h2-3,7-8,16-17,21-24,32H,4-6,9-15,31H2,1H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,43,44)/t17-,21-,22-,23-,24-/m0/s1

Isomere SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCC(=O)N4

Alternative CAS-Nummer

30505-63-6

PubChem CID

5748613

MeSH-Eintrag

BPP-5a peptide, Bothrops jararaca;pyroGlu-Lys-Trp-Ala-Pro;pyroglutamyl-lysyl-tryptophyl-alanyl-proline

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: N-acyl-L-alpha-amino acids Proline and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Pyrrolidinecarboxamides N-acylpyrrolidines Pyrrolidine carboxylic acids Substituted pyrroles Benzenoids N-acyl amines Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Substituted pyrrole - Benzenoid - 2-pyrrolidone - Pyrrolidone - Fatty acyl - Fatty amide - N-acyl-amine - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Primary amine - Organonitrogen compound - Aromatic heteropolycyclic 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: 611.700 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 611.307 Da
• Monoisotopic Mass: 611.307 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1090.000
• 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

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 30505-63-6. InChIKey NINBLKUXZROFMZ-KELSAIANSA-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.