Compound Identification
SMILES
CC1=CC=C(CN(C(C(N)=O)C2=CC3=C(OCCO3)C=C2)C(=O)C2=NC(N)=NC=C2Cl)C=C1
InChIKey
InChIKey=ZMHMNFIINMGBRU-UHFFFAOYSA-N
Formula
C23H22ClN5O4
Mass
467.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
Benzo-1,4-dioxanes Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Toluenes Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Para dioxins Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Para-dioxin - Pyrimidine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Primary amine - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available