Gly-Glu - ≥98% , CAS No.7412-78-4

CAS: 7412-78-4 Cat. No.: G121415 Molecular Weight: 204.18 Beilstein Registry Number: 204.18

GRADE & PURITY ≥98%

Synonyms

EINECS 231-019-4 | IEFJWDNGDZAYNZ-BYPYZUCNSA-N | G0123 | N-(Aminoacetyl)glutamic acid # | T72896 | 1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea | 2-(2-Amino-acetylamino)-pentanedioic acid | (S)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 231-019-4 | IEFJWDNGDZAYNZ-BYPYZUCNSA-N | G0123 | N-(Aminoacetyl)glutamic acid # | T72896 | 1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3, 2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea | 2-(2-Amino-acetylamino)-pentanedioic acid | (S)-2

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: 504756429
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756429
• Canonical Smiles: C(CC(=O)O)C(C(=O)O)NC(=O)CN
• IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]pentanedioic acid
• InChIKey: IEFJWDNGDZAYNZ-BYPYZUCNSA-N
• INCHI: 1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
• Isomeric SMILES: C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CN
• WGK Germany: 3
• Molecular Weight: 204.18
• Beilstein: 204.18
• Reaxy-Rn: 1728200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728200&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: Glutamic acid and derivatives N-acyl-alpha amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Fatty acid - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - 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: 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

Associated Targets(non-human)

Slc15a1 Solute carrier family 15 member 1 (124 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: Heat sensitive
• Specific Rotation[α]: -7° (C=5,H2O)
• Melt Point(°C): 158 °C(dec.)
• Molecular Weight: 204.180 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 204.075 Da
• Monoisotopic Mass: 204.075 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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