Compound Identification
SMILES
OC(C(NC(=O)OCC1=CC=CC=C1)C(O)=O)C1=CN(C=N1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=HGJZZIXIZVRPIL-UHFFFAOYSA-N
Formula
C22H21N3O7
Mass
439.424
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
Benzyloxycarbonyls Imidazolyl carboxylic acids and derivatives Beta hydroxy acids and derivatives Carbonylimidazoles N-substituted imidazoles Carbamate esters Heteroaromatic compounds Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Aromatic alcohols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Benzyloxycarbonyl - Imidazolyl carboxylic acid derivative - Beta-hydroxy acid - Imidazole-1-carbonyl group - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Secondary alcohol - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organooxygen compound - Organic oxygen compound - 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