Compound Identification
SMILES
ClC1=CC2=C(C=C1)C(=C1CCN(CC1)C(=O)CC1CCNCC1)C1=C(CS2)C=CC=N1
InChIKey
InChIKey=REACFXVGXXIOJH-UHFFFAOYSA-N
Formula
C25H28ClN3OS
Mass
454.03
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
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic 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
Delta amino acids and derivatives
Alternative Parents
Benzothiepins N-acylpiperidines Alkylarylthioethers Pyridines and derivatives Benzenoids Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Delta amino acid or derivatives - Benzothiepin - N-acyl-piperidine - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Thioether - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Amine - Organohalogen compound - Organic oxide - Organochloride - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors
Not available