L-alanyl-L-tryptophan - ≥95% , CAS No.16305-75-2

CAS: 16305-75-2 Cat. No.: B301159 Molecular Weight: 275.31 Beilstein Registry Number: 22(3/4)6801

GRADE & PURITY ≥95%

Synonyms

L-Alanyl-L-tryptophan|16305-75-2|Ala-Trp|L-Tryptophan, L-alanyl-|L-Alanyltryptophan|(S)-2-((S)-2-Aminopropanamido)-3-(1H-indol-3-yl)propanoic acid|CHEMBL91792|N-L-Alanyl-L-tryptophan|CHEBI:73808|Alanyl tryptophan|Alanyl-Tryptophan|L-Ala-L-Trp|L-Tryptophan

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

L-Alanyl-L-tryptophan | 16305-75-2 | Ala-Trp | L-Tryptophan, L-alanyl- | L-Alanyltryptophan | (S)-2-((S)-2-Aminopropanamido)-3-(1H-indol-3-yl)propanoic acid | CHEMBL91792 | N-L-Alanyl-L-tryptophan | CHEBI:73808 | Alanyl tryptophan | Alanyl-Tryptophan | L-Ala-L-Trp | L-Tryptophan

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755806
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755806
• Canonical Smiles: CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
• InChIKey: WUGMRIBZSVSJNP-UFBFGSQYSA-N
• INCHI: 1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 275.31
• Beilstein: 22(3/4)6801
• Reaxy-Rn: 92501
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=92501&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: N-acyl-L-alpha-amino acids Alpha amino acid amides Indolyl carboxylic acids and derivatives Alanine and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Indolyl carboxylic acid derivative - Alanine or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic 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

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

• Specific Rotation[α]: [α]20/D +15.5±0.5°, c = 2.7% in H2O
• Melt Point(°C): 293°C
• Molecular Weight: 275.300 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 275.127 Da
• Monoisotopic Mass: 275.127 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 375.000
• 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