Tridecactide - ≥95% , CAS No.22006-64-0

CAS: 22006-64-0 Cat. No.: T1258127 Formule: C₇₅H₁₀₆N₂₀O₁₉S Poids moléculaire: 1623.8

QUALITÉ & PURETÉ ≥95%

Storage

Room temperature

Shipped In

Normal

Spécifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)N

IUPAC Name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

InChIKey

VGBVAARMQYYITG-DESRROFGSA-N

INCHI

1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1

Poids moléculaire

1623.8

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 Tyrosine and derivatives Arginine and derivatives Phenylalanine and derivatives Histidine and derivatives Glutamic acid and derivatives Methionine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Tryptamines and derivatives 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Imidazolyl carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Guanidines Amino acids Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Carboximidamides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Imines Carbonyl compounds Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Arginine or derivatives - Histidine or derivatives - Glutamic acid or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Triptan - Serine or derivatives - Amphetamine or derivatives - 3-alkylindole - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Indole - Indole or derivatives - Pyrrolidine-2-carboxamide - Imidazolyl carboxylic acid derivative - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - N-acyl-amine - Substituted pyrrole - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Guanidine - Thioether - Carboximidamide - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Azacycle - Primary amine - Organic nitrogen compound - Organic oxygen compound - Imine - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organosulfur compound - Amine - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic 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: 1623.800 g/mol
• XLogP3: -6.200
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 50
• Exact Mass: 1622.77 Da
• Monoisotopic Mass: 1622.77 Da
• Topological Polar Surface Area: 659.000 Ų
• Heavy Atom Count: 115
• Formal Charge: 0
• Complexity: 3240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 22006-64-0, the molecular formula is C75H106N20O19S, and the molecular weight is 1623.8 g/mol. InChIKey VGBVAARMQYYITG-DESRROFGSA-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.