N-Carbobenzoxy-L-glutamic Acid - ≥98% , CAS No.1155-62-0

CAS: 1155-62-0 Cat. No.: C113129 Molecular Weight: 281.26 Beilstein Registry Number: 2061272 EC Number: 214-584-1

GRADE & PURITY ≥98%

Synonyms

2-Benzyloxycarbonylamino-pentanedioic acid | N-((Phenylmethoxycarbonyl)-L-glutamic acid | Glutamic acid, N-carboxy-, N-benzyl ester, L- | N-[(benzyloxy)carbonyl]-L-glutamic acid | N-Cbz-L-glutamic acid | M03047 | BENZYLOXYCARBONYL-L-GLUTAMIC ACID | Beprid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Benzyloxycarbonylamino-pentanedioic acid | N-((Phenylmethoxycarbonyl)-L-glutamic acid | Glutamic acid, N-carboxy-, N-benzyl ester, L- | N-[(benzyloxy)carbonyl]-L-glutamic acid | N-Cbz-L-glutamic acid | M03047 | BENZYLOXYCARBONYL-L-GLUTAMIC ACID | Beprid

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754583
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid
• InChIKey: PVFCXMDXBIEMQG-JTQLQIEISA-N
• INCHI: 1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)O)C(=O)O
• WGK Germany: 3
• Molecular Weight: 281.26
• Beilstein: 2061272
• Reaxy-Rn: 2157652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2157652&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: Benzyloxycarbonyls Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Associated Targets(non-human)

Shigella flexneri (1836 Activities)

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

Mus musculus (284745 Activities)

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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]: -7.5 ° (C=8, AcOH)
• Melt Point(°C): 120°C
• Molecular Weight: 281.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 281.09 Da
• Monoisotopic Mass: 281.09 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 351.000
• 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. Zhanpeng Ren, Jianying Wang, Chenglong Xue, Minghua Deng, Haiyang Yu, Tianci Lin, Jiayuan Zheng, Rongxiang He, Xianbao Wang, Jinhua Li.  (2023)  Ultrahighly Sensitive and Selective Glutathione Sensor Based on Carbon Dot-Functionalized Solution-Gate Graphene Transistor.  ANALYTICAL CHEMISTRY,      [PMID:37971943] [10.1021/acs.analchem.3c03656]