Fmoc-Lys(Pal-Glu-OtBu)-OH - ≥98% , CAS No.1491158-62-3

CAS: 1491158-62-3 Cat. No.: F768461 Molecular Weight: 792.1 PubChem CID: 72188630

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]hexanoic acid
• InChIKey: LQQXBYSAGYOQJW-ZAQUEYBZSA-N
• INCHI: 1S/C46H69N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-29-42(51)48-40(44(54)57-46(2,3)4)30-31-41(50)47-32-23-22-28-39(43(52)53)49-45(55)56-33-38-36-26-20-18-24-34(36)35-25-19-21-27-37(35)38/h18-21,24-27,38-40H,5-17,22-23,28-33H2,1-4H3,(H,47,50)(H,48,51)(H,49,55)(H,52,53)/t39-,40-/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C
• PubChem CID: 72188630
• Molecular Weight: 792.1

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 Glutamine 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: Glutamine and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Fluorenes Alpha amino acid esters Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives Carbamate esters Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Glutamine or derivatives - Alpha-amino acid ester - Fluorene - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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: 792.100 g/mol
• XLogP3: 10.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 31
• Exact Mass: 791.508 Da
• Monoisotopic Mass: 791.508 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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