Compound Identification
SMILES
COC(=O)[C@H](CC1=CN=CN1C1=CC=C(N)C=C1)NC(C)=O
InChIKey
InChIKey=TXMWKPINUZENSB-AWEZNQCLSA-N
Formula
C15H18N4O3
Mass
302.334
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylimidazoles Aniline and substituted anilines Imidazolyl carboxylic acids and derivatives Fatty acid esters N-substituted imidazoles Methyl esters Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 1-phenylimidazole - Imidazolyl carboxylic acid derivative - Aniline or substituted anilines - Fatty acid ester - Monocyclic benzene moiety - N-substituted imidazole - Fatty acyl - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Acetamide - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Primary amine - 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