L-Prolyl-L-isoleucine - ≥98% , CAS No.51926-51-3

CAS: 51926-51-3 Cat. No.: L354761 Molecular Weight: 228.29

GRADE & PURITY ≥98%

Synonyms

N-L-Prolyl-L-isoleucine | H-Pro-Ile | (2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid | L-Pro-L-Ile | l-prolyl-l-isoleucine | Prolylisoleucine | Prolyl-isoleucine | AKOS010420273 | H-Pro-Ile-OH | Pro-ile | OCYROESYHWUPBP-CIUDSAMLSA-N

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-L-Prolyl-L-isoleucine | H-Pro-Ile | (2S, 3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid | L-Pro-L-Ile | l-prolyl-l-isoleucine | Prolylisoleucine | Prolyl-isoleucine | AKOS010420273 | H-Pro-Ile-OH | Pro-ile | OCYROESYHWUPBP-CIUDSAMLSA-N

Specifications & Purity

≥98%

Storage

Protected from light, 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: CCC(C)C(C(=O)O)NC(=O)C1CCCN1
• IUPAC Name: (2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
• InChIKey: OCYROESYHWUPBP-CIUDSAMLSA-N
• INCHI: 1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
• Molecular Weight: 228.29
• Reaxy-Rn: 13477909
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13477909&ln=

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 Dipeptides

• 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: Dipeptides
• Alternative Parents: Isoleucine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Pyrrolidinecarboxamides Heterocyclic fatty acids Methyl-branched fatty acids Secondary carboxylic acid amides Amino acids Carboxylic acid salts Azacyclic compounds Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Organic zwitterions Organic salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Heterocyclic fatty acid - Methyl-branched fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Pyrrolidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: basic aqueous solutions
• Sensitivity: Light sensitive
• Molecular Weight: 228.290 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 228.147 Da
• Monoisotopic Mass: 228.147 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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