Compound Identification
SMILES
CC(=O)N1C[C@H]([NH2+][C@H](CC2=CN=CN2)C([O-])=O)C(=N1)C1=CC=C(OC2=CC=CC=C2)C=C1
InChIKey
InChIKey=XFTRHCIMFJAQGE-RTWAWAEBSA-N
Formula
C23H23N5O4
Mass
433.468
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
Diphenylethers Diarylethers D-alpha-amino acids Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Aralkylamines Quaternary ammonium salts Pyrazolines Acetamides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylamines Organic oxides Organic salts Organic zwitterions Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Diphenylether - Diaryl ether - Alpha-amino acid - D-alpha-amino acid - Phenol ether - Imidazolyl carboxylic acid derivative - Phenoxy compound - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazoline - Acetamide - Imidazole - Quaternary ammonium salt - Azole - Carboxylic acid salt - Carboxylic acid - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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