Head activator peptide , CAS No.79943-68-3

CAS: 79943-68-3 Cat. No.: H1001431 PubChem CID: 123902

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCC(=O)N4

IUPAC Name

(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

InChIKey

QXXBUXBKXUHVQH-FMTGAZOMSA-N

INCHI

1S/C54H84N12O14/c1-7-32(6)45(51(76)61-36(25-30(2)3)47(72)62-37(54(79)80)26-33-15-9-8-10-16-33)64-50(75)44(31(4)5)63-46(71)34(17-11-12-22-55)60-48(73)38(29-67)59-43(70)28-56-42(69)27-57-49(74)39-18-13-23-65(39)53(78)40-19-14-24-66(40)52(77)35-20-21-41(68)58-35/h8-10,15-16,30-32,34-40,44-45,67H,7,11-14,17-29,55H2,1-6H3,(H,56,69)(H,57,74)(H,58,68)(H,59,70)(H,60,73)(H,61,76)(H,62,72)(H,63,71)(H,64,75)(H,79,80)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1

Isomères SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCC(=O)N4

CAS alternatif

79943-68-3

PubChem CID

123902

Termes d'entrée MeSH

head activator peptide;HHAP;hydra growth activator;hydra head activator peptide;peptide head activator;peptide hydra morphogen;pGlu-Pro-Pro-Gly-Gly-Ser-Lys-Val-Ile-Leu-Phe;pyroglutamyl-prolyl-prolyl-glycyl-glycyl-seryl-lysyl-valyl-isoleucyl-leucyl-phenyla

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Classe Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Classe: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Phenylalanine and derivatives Leucine and derivatives Isoleucine and derivatives Valine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Pyrrolidine-2-ones N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Phenylalanine or derivatives - Leucine or derivatives - Isoleucine or derivatives - Valine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Serine or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Fatty acyl - Benzenoid - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 1125.300 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 31
• Exact Mass: 1124.62 Da
• Monoisotopic Mass: 1124.62 Da
• Topological Polar Surface Area: 386.000 Ų
• Heavy Atom Count: 80
• Formal Charge: 0
• Complexity: 2190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 79943-68-3. InChIKey QXXBUXBKXUHVQH-FMTGAZOMSA-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.