Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NC(=O)C1=CC=CC=N1
InChIKey
InChIKey=IWJHWCBVFHITRN-UHFFFAOYSA-N
Formula
C13H14N4O3
Mass
274.28
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
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Pyridinecarboxylic acids and derivatives Imidazolyl carboxylic acids and derivatives 2-heteroaryl carboxamides Fatty acid esters Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Imidazolyl carboxylic acid derivative - Fatty acid ester - Fatty acyl - Pyridine - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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