L-Leucyl-L-tyrosine - ≥98% , CAS No.968-21-8

CAS: 968-21-8 Cat. No.: L354314 Molecular Weight: 294.35

GRADE & PURITY ≥98%

Synonyms

AMY41886 | NSC 118372 | EINECS 213-527-8 | CHEBI:73591 | Leucyltyrosine | leucyl-tyrosine | L-Leu-L-Tyr | SCHEMBL2474675 | A902475 | BDBM50348865 | H-Leu-Tyr-OH | (S)-2-((S)-2-Amino-4-methylpentanamido)-3-(4-hydroxyphenyl)propanoic acid | Q27141905 | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY41886 | NSC 118372 | EINECS 213-527-8 | CHEBI:73591 | Leucyltyrosine | leucyl-tyrosine | L-Leu-L-Tyr | SCHEMBL2474675 | A902475 | BDBM50348865 | H-Leu-Tyr-OH | (S)-2-((S)-2-Amino-4-methylpentanamido)-3-(4-hydroxyphenyl)propanoic acid | Q27141905 | AKOS

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754529
• Canonical Smiles: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: LHSGPCFBGJHPCY-STQMWFEESA-N
• INCHI: 1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N
• Molecular Weight: 294.35
• Reaxy-Rn: 2160708
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2160708&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Amino acids Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organic oxide - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: [a]20/D：23° (C=0.2,H2O)
• Molecular Weight: 294.350 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 294.158 Da
• Monoisotopic Mass: 294.158 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 352.000
• 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