N-Fmoc-L-glutamic acid 1-tert-butyl ester - ≥98% , CAS No.84793-07-7

CAS: 84793-07-7 Cat. No.: N136487 Molecular Weight: 425.47 EC Number: 688-911-5

GRADE & PURITY ≥98%

Synonyms

Fmoc-Glu-OtBu | Fmoc-Glu-O-t-Bu | Fmoc-Glu-Ot-Bu | n-alpha-fmoc-l-glutamic acid alpha-t-butyl ester | L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester | AC-1157 | N-alpha-fmoc-l-glutamic acid-alpha-t-butyl ester | GOPWHX

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-Glu-OtBu | Fmoc-Glu-O-t-Bu | Fmoc-Glu-Ot-Bu | n-alpha-fmoc-l-glutamic acid alpha-t-butyl ester | L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1, 1-dimethylethyl) ester | AC-1157 | N-alpha-fmoc-l-glutamic acid-alpha-t-butyl ester | GOPWHX

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

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: 488196072
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196072
• Canonical Smiles: CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• InChIKey: GOPWHXPXSPIIQZ-FQEVSTJZSA-N
• INCHI: 1S/C24H27NO6/c1-24(2,3)31-22(28)20(12-13-21(26)27)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t20-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Molecular Weight: 425.47
• Reaxy-Rn: 36873769
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36873769&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: Fluorenes Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Fluorene - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic 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

• Sensitivity: Air sensitive
• Refractive Index: 1.57
• Specific Rotation[α]: -11°±2°,c = 1 in EtOAC; 19°±2°,c = 1 in DMF
• Melt Point(°C): 105-113°C
• Molecular Weight: 425.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 425.184 Da
• Monoisotopic Mass: 425.184 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 635.000
• 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. Hongliu Xie, Fang Lin, Fei Shi, Elaine Johnstone, Yaqi Wang, Yang An, Jun Su, Jiayin Liu, Qinghai Dong, Jihua Liu.  (2024)  Synthesis, biological evaluation and mechanism study based on network pharmacology of amino acids esters of 20(S)-protopanaxadiol as novel anticancer agents.  FITOTERAPIA,      [PMID:39537112] [10.1016/j.fitote.2024.106274]