Phe-Ala - ≥98% , CAS No.3918-87-4

CAS: 3918-87-4 Cat. No.: P121447 Molecular Weight: 236.27

GRADE & PURITY ≥98%

Synonyms

MFCD00037229 | HY-W009602 | L-Phe-L-Ala | Phenylalanine Alanine dipeptide | SCHEMBL1711543 | (S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propionic acid | CHEBI:73630 | AKOS010420277 | F-A | (S)-2-((S)-2-Amino-3-phenylpropanamido)propanoic acid | Phenylala

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD00037229 | HY-W009602 | L-Phe-L-Ala | Phenylalanine Alanine dipeptide | SCHEMBL1711543 | (S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propionic acid | CHEBI:73630 | AKOS010420277 | F-A | (S)-2-((S)-2-Amino-3-phenylpropanamido)propanoic acid | Phenylala

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

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: CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N
• IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
• InChIKey: MIDZLCFIAINOQN-WPRPVWTQSA-N
• INCHI: 1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
• WGK Germany: 3
• Molecular Weight: 236.27
• Reaxy-Rn: 2220412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220412&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: Phenylalanine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Aralkylamines Fatty amides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic 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

Associated Targets(Human)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MME Tclin Neprilysin (838 Activities)

Discover Target: MME

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive; Moisture sensitive; Heat sensitive; Light sensitive
• Molecular Weight: 236.270 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.116 Da
• Monoisotopic Mass: 236.116 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 275.000
• 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