Arg-Phe-Asp-Ser - ≥98% , CAS No.102567-19-1

CAS: 102567-19-1 Cat. No.: A101726 Molecular Weight: 523.54 PubChem CID: 10346696

GRADE & PURITY ≥98%

Synonyms

RFDS;L-Arginyl-L-phenylalanyl-L-alpha-aspartyl-L-serine;H-Arg-Phe-Asp-Ser-OH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

RFDS;L-Arginyl-L-phenylalanyl-L-alpha-aspartyl-L-serine;H-Arg-Phe-Asp-Ser-OH

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

• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)N
• IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
• InChIKey: SAGYNNXCQOFQHW-VGWMRTNUSA-N
• INCHI: 1S/C22H33N7O8/c23-13(7-4-8-26-22(24)25)18(33)27-14(9-12-5-2-1-3-6-12)19(34)28-15(10-17(31)32)20(35)29-16(11-30)21(36)37/h1-3,5-6,13-16,30H,4,7-11,23H2,(H,27,33)(H,28,34)(H,29,35)(H,31,32)(H,36,37)(H4,24,25,26)/t13-,14-,15-,16-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
• WGK Germany: 3
• PubChem CID: 10346696
• Molecular Weight: 523.54

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: Phenylalanine and derivatives Aspartic acid and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Amphetamines and derivatives Beta hydroxy acids and derivatives N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Aspartic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - 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 - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Hydroxy acid - N-acyl-amine - Fatty acyl - Benzenoid - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Primary alcohol - Primary amine - Organic oxide - Primary aliphatic amine - Amine - Aromatic homomonocyclic 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

• Molecular Weight: 523.500 g/mol
• XLogP3: -5.300
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 523.239 Da
• Monoisotopic Mass: 523.239 Da
• Topological Polar Surface Area: 273.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 828.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

References

1. Xi-Tian Peng, Bi-Feng Yuan, Yu-Qi Feng.  (2011)  Grafting of silica with a hydrophilic triol acrylamide polymer via surface-initiated “grafting from” method for hydrophilic-interaction chromatography.  JOURNAL OF SEPARATION SCIENCE,  34  (22): (3123-3130).  [PMID:21998034] [10.1002/jssc.201100570]