L-glutamic acid p-nitroanilide - ≥98% , CAS No.24032-35-7

CAS: 24032-35-7 Cat. No.: G117942 Molecular Weight: 267.24 Beilstein Registry Number: 3036815 EC Number: 245-994-9

GRADE & PURITY ≥98%

Synonyms

J-015318 | FD21421 | SCHEMBL623283 | H-Glu-Pna | EINECS 245-994-9 | L-Glutamic acid 1-(4-nitroanilide) | HY-W011701 | MFCD00038111 | (S)-4-Amino-5-((4-nitrophenyl)amino)-5-oxovaleric acid | glutamyl-p-nitroaniline | Pentanoic acid,4-amino-5-[(4-nitropheny

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

J-015318 | FD21421 | SCHEMBL623283 | H-Glu-Pna | EINECS 245-994-9 | L-Glutamic acid 1-(4-nitroanilide) | HY-W011701 | MFCD00038111 | (S)-4-Amino-5-((4-nitrophenyl)amino)-5-oxovaleric acid | glutamyl-p-nitroaniline | Pentanoic acid, 4-amino-5-[(4-nitropheny

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: 488186617
• Canonical Smiles: C1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)[N+](=O)[O-]
• IUPAC Name: (4S)-4-amino-5-(4-nitroanilino)-5-oxopentanoic acid
• InChIKey: JXQXNQKTUGNZLD-VIFPVBQESA-N
• INCHI: 1S/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)[C@H](CCC(=O)O)N)[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 267.24
• Beilstein: 3036815
• Reaxy-Rn: 3036815
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3036815&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 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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: Alpha amino acid amides Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Amino fatty acids Fatty amides Secondary carboxylic acid amides Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid amide - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Amino fatty acid - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Amino acid - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 267.240 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 267.086 Da
• Monoisotopic Mass: 267.086 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 347.000
• 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. Mingyue Zhang, Jiani Pu, Yushan Cui, Jianan Sun, Hao Dong, Xiangzhao Mao.  (2024)  In Silico Enzymolysis-Guided Mining of Aminopeptidases with Molecular Insights into Their Substrate Specificity Mechanism.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39635764] [10.1021/acs.jafc.4c07713]