Compound Identification
SMILES
CC(C)CC(NC(CC1=CN=CN1CC1=CC(Cl)=C(Cl)C=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=XYMXKTAFOZJFLD-UHFFFAOYSA-N
Formula
C19H23Cl2N3O4
Mass
428.31
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
Leucine and derivatives Alpha amino acids Dichlorobenzenes Imidazolyl carboxylic acids and derivatives Aralkylamines Aryl chlorides Dicarboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Leucine or derivatives - Alpha-amino acid - Imidazolyl carboxylic acid derivative - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - N-substituted imidazole - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Amino acid - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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