Glycyl-L-aspartic Acid Monohydrate - ≥98% , CAS No.4685-12-5

CAS: 4685-12-5 Cat. No.: G404105 Molecular Weight: 208.18 EC Number: 225-140-1

GRADE & PURITY ≥98%

Synonyms

(2S)-2-(2-aminoacetamido)butanedioic acid | (2S)-2-[(2-aminoacetyl)amino]butanedioic acid | EINECS 281-602-2 | L-Aspartic acid, N-glycyl- | (S)-2-(2-Aminoacetamido)succinic acid | SCCPDJAQCXWPTF-VKHMYHEASA-N | D95364 | MFCD00025585 | AKOS015893977 | NSC 2

Storage

Room temperature

Specifications

Synonyms

(2S)-2-(2-aminoacetamido)butanedioic acid | (2S)-2-[(2-aminoacetyl)amino]butanedioic acid | EINECS 281-602-2 | L-Aspartic acid, N-glycyl- | (S)-2-(2-Aminoacetamido)succinic acid | SCCPDJAQCXWPTF-VKHMYHEASA-N | D95364 | MFCD00025585 | AKOS015893977 | NSC 2

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187048
• Canonical Smiles: C(C(C(=O)O)NC(=O)CN)C(=O)O
• IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]butanedioic acid
• InChIKey: SCCPDJAQCXWPTF-VKHMYHEASA-N
• INCHI: 1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
• Isomeric SMILES: C([C@@H](C(=O)O)NC(=O)CN)C(=O)O
• Molecular Weight: 208.18
• Reaxy-Rn: 1727386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727386&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: Aspartic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty acid - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Organonitrogen compound - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Aliphatic acyclic 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

Associated Targets(non-human)

Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

Discover Target: Slc15a2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

• Specific Rotation[α]: 13° (C=2,H2O)
• Molecular Weight: 190.150 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 190.059 Da
• Monoisotopic Mass: 190.059 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• 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

References

1. Chen Xing, Wen-Qiang Cui, Yue Zhang, Xin-Shu Zou, Jing-You Hao, Si-Di Zheng, Ting-Ting Wang, Xiao-Zhen Wang, Tong Wu, Yan-Yan Liu, Xue-Ying Chen, Shu-Guang Yuan, Zhi-Yun Zhang, Yan-Hua Li.  (2022)  Ultrasound-assisted deep eutectic solvents extraction of glabridin and isoliquiritigenin from Glycyrrhiza glabra: Optimization, extraction mechanism and in vitro bioactivities.  ULTRASONICS SONOCHEMISTRY,      [PMID:35151194] [10.1016/j.ultsonch.2022.105946]