Gly-Gly benzyl ester p-toluenesulfonate salt - ≥98% , CAS No.1738-82-5

CAS: 1738-82-5 Cat. No.: G121418 Molecular Weight: 394.44 EC Number: 626-759-3

GRADE & PURITY ≥98%

Synonyms

MFCD00050678 | Gly-Gly benzyl ester p-toluenesulfonate salt | AKOS016003527 | Diglycine Benzyl Ester p-Toluenesulfonate | G0427 | AC7806 | NSC356835 | NSC-356835 | H-Gly-Gly-OBzl.TosOH | H-Gly-Gly-OBzl.Tos-OH | HY-W009015 | 4-methylbenzene-1-sulfonic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Amino Acid Sequence Gly-Gly-OBz
Gly-Gly benzyl ester p-toluenesulfonate salt may be used as an organic intermediate in peptide synthetic processes.

Specifications

Synonyms

MFCD00050678 | Gly-Gly benzyl ester p-toluenesulfonate salt | AKOS016003527 | Diglycine Benzyl Ester p-Toluenesulfonate | G0427 | AC7806 | NSC356835 | NSC-356835 | H-Gly-Gly-OBzl.TosOH | H-Gly-Gly-OBzl.Tos-OH | HY-W009015 | 4-methylbenzene-1-sulfonic acid

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758514
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN
• IUPAC Name: benzyl 2-[(2-aminoacetyl)amino]acetate;4-methylbenzenesulfonic acid
• InChIKey: RWBJLSORGVEMHA-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN
• WGK Germany: 3
• Molecular Weight: 394.44
• Reaxy-Rn: 3842185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3842185&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: Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides p-Methylbenzenesulfonates Tosyl compounds Benzyloxycarbonyls 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Not available
• Substituents: Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Primary amine - 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: 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

• Sensitivity: Heat & Air sensitive
• Melt Point(°C): 155 °C
• Molecular Weight: 394.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 394.12 Da
• Monoisotopic Mass: 394.12 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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