(2R)-5-tert-butoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxo-pentanoic acid - ≥97% , CAS No.1562442-35-6

CAS: 1562442-35-6 Cat. No.: T637696 Molecular Weight: 439.5

GRADE & PURITY ≥97%

Synonyms

1562442-35-6 | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid | (2R)-5-(tert-butoxy)-2-({[(9H-fluoren-9-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1562442-35-6 | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid | (2R)-5-(tert-butoxy)-2-({[(9H-fluoren-9-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCC(C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• InChIKey: FVUASVBQADLDRO-OAQYLSRUSA-N
• INCHI: 1S/C25H29NO6/c1-25(2,3)32-22(27)14-13-21(23(28)29)26(4)24(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,28,29)/t21-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)CC[C@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Molecular Weight: 439.5
• Reaxy-Rn: 61712433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61712433&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 Fatty acid esters Dicarboxylic acids and derivatives Carbamate esters Tertiary amines Carboxylic acid esters Amino acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Glutamic acid or derivatives - Fluorene - Fatty acid ester - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Tertiary amine - Amino acid - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - 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

• Molecular Weight: 439.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 439.199 Da
• Monoisotopic Mass: 439.199 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 664.000
• 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