H-Leu-Leu-OMe Hydrochloride - ≥98% , CAS No.6491-83-4

CAS: 6491-83-4 Cat. No.: H356924 Molecular Weight: 294.82 PubChem CID: 15598024

GRADE & PURITY ≥98%

Synonyms

HY-129905 | H-Leu-leu-OMe hydrochloride | L-Leucyl-L-Leucine methyl ester (hydrochloride) | Leucylleucine methyl ester hydrochloride | Leu-Leu-ome hydrochloride | methyl L-leucyl-L-leucinate hydrochloride | RVXQFTNCULOWRV-ACMTZBLWSA-N | 76R0TP2LNW | Methy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

H-Leu-Leu-OMe Hydrochloride possesses immunosuppressive activity.

Specifications

Synonyms

HY-129905 | H-Leu-leu-OMe hydrochloride | L-Leucyl-L-Leucine methyl ester (hydrochloride) | Leucylleucine methyl ester hydrochloride | Leu-Leu-ome hydrochloride | methyl L-leucyl-L-leucinate hydrochloride | RVXQFTNCULOWRV-ACMTZBLWSA-N | 76R0TP2LNW | Methy

Specifications & Purity

≥98%

Storage

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

• Pubchem Sid: 504767906
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767906
• Canonical Smiles: CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)N.Cl
• IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
• InChIKey: RVXQFTNCULOWRV-ACMTZBLWSA-N
• INCHI: 1S/C13H26N2O3.ClH/c1-8(2)6-10(14)12(16)15-11(7-9(3)4)13(17)18-5;/h8-11H,6-7,14H2,1-5H3,(H,15,16);1H/t10-,11-;/m0./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)N.Cl
• Alternate CAS: 13022-42-9
• PubChem CID: 15598024
• Molecular Weight: 294.82

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: Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Fatty acid esters N-acyl amines Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acid ester - Fatty amide - N-acyl-amine - Fatty acyl - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Primary amine - Organooxygen compound - Aliphatic acyclic 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: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in methanol (0.15 g/ml).
• Sensitivity: Moisture sensitive.
• Refractive Index: n20D~1.46 (Predicted)
• Melt Point(°C): 171-184° C
• Molecular Weight: 294.820 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 294.171 Da
• Monoisotopic Mass: 294.171 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 277.000
• 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: 2

XLogP3