Compound Identification
SMILES
COC(=O)C(CC1=C(N=CN1C)[N+]([O-])=O)NC(=O)OC(C)(C)C
InChIKey
InChIKey=RGIRHUPPDFQXFG-UHFFFAOYSA-N
Formula
C13H20N4O6
Mass
328.325
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
-
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 Imidazolyl carboxylic acids and derivatives Nitroimidazoles Nitroaromatic compounds Fatty acid esters Imidolactams N-substituted imidazoles Carbamate esters Heteroaromatic compounds Methyl esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - Fatty acid ester - N-substituted imidazole - Fatty acyl - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organonitrogen 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