N-Palmitoyl-L-glutamic Acid 1-tert-Butyl 5-(N-Succinimidyl) Ester - ≥96% , CAS No.204521-63-1

CAS: 204521-63-1 Cat. No.: B302733 Molecular Weight: 538.73 EC Number: 846-837-2

GRADE & PURITY ≥96%

Synonyms

1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate | N | SCHEMBL4821245 | ZB1002 | (S)-1-tert-butyl 5-(2,5-dioxopyrrolidin-1-yl) 2-palmitamidopentanedioate | A-tert-butyl Ester | MFCD22989465 | 1-tert-butyl 2,5-dioxopyrr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-O-tert-butyl 5-O-(2, 5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate | N | SCHEMBL4821245 | ZB1002 | (S)-1-tert-butyl 5-(2, 5-dioxopyrrolidin-1-yl) 2-palmitamidopentanedioate | A-tert-butyl Ester | MFCD22989465 | 1-tert-butyl 2, 5-dioxopyrr

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504772226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772226
• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
• IUPAC Name: 1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
• InChIKey: MKJFKKLCCRQPHN-QHCPKHFHSA-N
• INCHI: 1S/C29H50N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(32)30-23(28(36)37-29(2,3)4)19-22-27(35)38-31-25(33)20-21-26(31)34/h23H,5-22H2,1-4H3,(H,30,32)/t23-/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
• Molecular Weight: 538.73
• Reaxy-Rn: 36266682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36266682&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: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Fatty acid esters Pyrrolidine-2-ones N-acyl amines Dicarboxylic acids and derivatives Dicarboximides Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Pyrrolidine - Dicarboximide - Carboxamide group - Lactam - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic 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: light & Moisture & heat sensitive
• Melt Point(°C): 86.0 - 90.0 °C
• Molecular Weight: 538.700 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 23
• Exact Mass: 538.362 Da
• Monoisotopic Mass: 538.362 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 745.000
• 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