Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NC(=O)C1=COC(=N1)C(N)CC1=CC=CC=C1
InChIKey
InChIKey=RPICDPOYWPJJIV-UHFFFAOYSA-N
Formula
C19H21N5O4
Mass
383.408
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 Amphetamines and derivatives 2-heteroaryl carboxamides Imidazolyl carboxylic acids and derivatives 2,4-disubstituted oxazoles Aralkylamines Fatty acid esters Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - 2-heteroaryl carboxamide - Imidazolyl carboxylic acid derivative - 2,4-disubstituted 1,3-oxazole - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxazole - Imidazole - Methyl ester - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - 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