Compound Identification
SMILES
CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O
InChIKey
InChIKey=JFYMULPOOMWHNX-UHFFFAOYSA-N
Formula
C21H22N10O3
Mass
462.474
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 Histidine and derivatives
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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
Direct Parent
Histidine and derivatives
Alternative Parents
Hippuric acids N-acyl-alpha amino acids Pteridines and derivatives Aminobenzamides Imidazolyl carboxylic acids and derivatives Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Aralkylamines Pyrazines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Histidine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Hippuric acid - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Imidazolyl carboxylic acid derivative - Aminopyrimidine - Aralkylamine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyrazine - Imidazole - Heteroaromatic compound - Azole - Amino acid - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available