Compound Identification
SMILES
CC1=C(OCCCC(=O)NC(CC2=CNC3=CC=CC=C23)C(O)=O)C=CC(Cl)=C1
InChIKey
InChIKey=QWEKRSCORDXSJA-UHFFFAOYSA-N
Formula
C22H23ClN2O4
Mass
414.89
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Indolyl carboxylic acids and derivatives 3-alkylindoles Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Aryl chlorides N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Toluene - Chlorobenzene - Aryl chloride - Substituted pyrrole - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Aryl halide - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available