Fibronectin CS1 Peptide - ≥95% , CAS No.136466-51-8

CAS: 136466-51-8 Cat. No.: F997344 PubChem CID: 9919150

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)O)N
• IUPAC Name: (4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: FLNMCNFAJCMMHI-YGHIGYJTSA-N
• INCHI: 1S/C38H64N8O15/c1-8-19(6)29(44-31(53)21(39)11-12-26(49)50)36(58)41-22(14-17(2)3)32(54)40-23(15-27(51)52)33(55)43-28(18(4)5)37(59)46-13-9-10-25(46)35(57)42-24(16-47)34(56)45-30(20(7)48)38(60)61/h17-25,28-30,47-48H,8-16,39H2,1-7H3,(H,40,54)(H,41,58)(H,42,57)(H,43,55)(H,44,53)(H,45,56)(H,49,50)(H,51,52)(H,60,61)/t19-,20+,21-,22-,23-,24-,25-,28-,29-,30-/m0/s1
• Isómeros SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)N
• PubChem CID: 9919150

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Glutamic acid and derivatives Aspartic acid and derivatives Isoleucine and derivatives Leucine and derivatives Valine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Tricarboxylic acids and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Beta hydroxy acids and derivatives Hydroxy fatty acids Amino fatty acids N-acyl amines Tertiary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Glutamic acid or derivatives - Aspartic acid or derivatives - Isoleucine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Amino fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty amide - Hydroxy acid - N-acyl-amine - Fatty acyl - Pyrrolidine - Tertiary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Primary alcohol - Alcohol - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 873.000 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 26
• Exact Mass: 872.449 Da
• Monoisotopic Mass: 872.449 Da
• Topological Polar Surface Area: 373.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 1590.000
• 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