(S)-2-(4-Nitrobenzamido)pentanedioic acid - ≥97% , CAS No.6758-40-3

CAS: 6758-40-3 Cat. No.: S194537 Peso molecular: 296.23 Número EC: 229-820-9 PubChem CID: 2724179

GRADE & PURITY ≥97%

Synonyms

W-104708 | C12H12N2O7 | SCHEMBL2575465 | D86754 | N-(4-Nitrobenzoyl)glutamic acid # | (S)-2-(4-Nitrobenzamido)pentanedioic acid | DS-18368 | DTXSID001296919 | L-Glutamic acid,N-(4-nitrobenzoyl)- | (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid | (2S)-2-[

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

W-104708 | C12H12N2O7 | SCHEMBL2575465 | D86754 | N-(4-Nitrobenzoyl)glutamic acid # | (S)-2-(4-Nitrobenzamido)pentanedioic acid | DS-18368 | DTXSID001296919 | L-Glutamic acid, N-(4-nitrobenzoyl)- | (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid | (2S)-2-[

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504760859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760859
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]
• IUPAC Name: (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid
• InChIKey: NOJZBJAFCSWMKC-VIFPVBQESA-N
• INCHI: 1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1
• Isómeros SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N+](=O)[O-]
• PubChem CID: 2724179
• Peso molecular: 296.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: Hippuric acids N-acyl-alpha amino acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Dicarboxylic acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Objetivos asociados (humanos)

GSR Tclin Glutathione reductase, mitochondrial (2 Activities)

Discover Target: GSR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 296.230 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 296.064 Da
• Monoisotopic Mass: 296.064 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 424.000
• 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