Compound Identification
SMILES
CC(C)C(=O)NC1=CC2=C(NC=C2[C@H]([NH+]2CCN(CC3=CC=CS3)CC2)C([O-])=O)C=C1
InChIKey
InChIKey=KOQPIBHUQDXZDN-NRFANRHFSA-N
Formula
C23H28N4O3S
Mass
440.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
L-alpha-amino acids 3-alkylindoles N-arylamides N-alkylpiperazines Aralkylamines Benzenoids Substituted pyrroles Heteroaromatic compounds Thiophenes Quaternary ammonium salts Carboxylic acid salts Trialkylamines Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - L-alpha-amino acid - Indole - N-arylamide - Aralkylamine - N-alkylpiperazine - Piperazine - Benzenoid - 1,4-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Thiophene - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organic salt - Organic zwitterion - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available