Compound Identification
SMILES
COC(=O)[C@@H](N)CC1=CN(CC2=CC=CC=C2[N+]([O-])=O)C=N1
InChIKey
InChIKey=IQMGGXBDCFLIKM-LBPRGKRZSA-N
Formula
C14H16N4O4
Mass
304.306
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 Nitrobenzenes Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Aralkylamines Fatty acid esters N-substituted imidazoles Methyl esters Heteroaromatic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monoalkylamines Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Nitrobenzene - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Primary amine - Organic salt - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - 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