Pro-Ser , CAS No.71835-80-8

CAS: 71835-80-8 Cat. No.: P1016363 PubChem CID: 7408258

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1CC(NC1)C(=O)NC(CO)C(=O)O
• IUPAC Name: (2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
• InChIKey: AFWBWPCXSWUCLB-WDSKDSINSA-N
• INCHI: 1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5-,6-/m0/s1
• Isómeros SMILES: C1C[C@H](NC1)C(=O)N[C@@H](CO)C(=O)O
• CAS alternativo: 71835-80-8
• PubChem CID: 7408258
• Términos de entrada MeSH: Pro-Ser;prolyl-serine;prolylserine

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 Dipeptides

• 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: Dipeptides
• Alternative Parents: Proline and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Pyrrolidinecarboxamides Beta hydroxy acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Beta-hydroxy acid - Hydroxy acid - Pyrrolidine - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic zwitterion - Amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

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: 202.210 g/mol
• XLogP3: -4.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 202.095 Da
• Monoisotopic Mass: 202.095 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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