2-[(9H-fluoren-9-ylmethoxy)carbonyl]-6-oxo-octahydro-1H-isoindole-1-carboxylic acid - ≥97% , CAS No.1403766-55-1

CAS: 1403766-55-1 Cat. No.: O628936 Molecular Weight: 405.45 PubChem CID: 72207740

GRADE & PURITY ≥97%

Synonyms

2-Fmoc-6-oxo-octahydro-isoindole-1-carboxylic acid | 1403766-55-1 | 2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-1-carboxylic acid | 2-[(9H-fluoren-9-ylmethoxy)carbonyl]-6-oxo-octahydro-1H-isoindole-1-carboxylic acid | PB3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Fmoc-6-oxo-octahydro-isoindole-1-carboxylic acid | 1403766-55-1 | 2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxo-3, 3a, 4, 5, 7, 7a-hexahydro-1H-isoindole-1-carboxylic acid | 2-[(9H-fluoren-9-ylmethoxy)carbonyl]-6-oxo-octahydro-1H-isoindole-1-carboxylic acid | PB3

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(=O)CC2C1CN(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-1-carboxylic acid
• InChIKey: MKGBTBHADOYGDF-UHFFFAOYSA-N
• INCHI: 1S/C24H23NO5/c26-15-10-9-14-12-25(22(23(27)28)20(14)11-15)24(29)30-13-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-8,14,20-22H,9-13H2,(H,27,28)
• PubChem CID: 72207740
• Molecular Weight: 405.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Bicyclic amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Bicyclic amino acids and derivatives
• Alternative Parents: Fluorenes Isoindolones Alpha amino acids and derivatives Isoindoles Pyrrolidine carboxylic acids Carbamate esters Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bicyclic amino acid - Fluorene - Alpha-amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Benzenoid - Carbamic acid ester - Pyrrolidine - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system.
• 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