ClassyFire

Compound Identification

SMILES

CC1=C(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C=C(Cl)C=C1

InChIKey

InChIKey=DQVUQTKIQPDWSK-UHFFFAOYSA-N

Formula

C21H27ClN2O2

Mass

374.91

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level 5 Amino acids and derivatives
        
        Level 6 Beta amino acids 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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Anilides N-arylamides Toluenes Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Beta amino acid or derivatives - Anilide - N-arylamide - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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