Compound Identification
SMILES
CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(=O)OCOC(=O)C(C)(C)C)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=WCYOXQAWSNKCKQ-DQEYMECFSA-N
Formula
C31H43Cl2N3O8
Mass
656.6
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 Tetracarboxylic acids and derivatives Alpha amino acid esters Dichlorobenzenes Imidazolyl carboxylic acids and derivatives Acylals Aralkylamines Fatty acid esters Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Leucine or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid ester - Imidazolyl carboxylic acid derivative - 1,3-dichlorobenzene - Chlorobenzene - Acylal - Aralkylamine - Fatty acid ester - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Fatty acyl - Benzenoid - N-substituted imidazole - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Carboxylic acid ester - Acetal - Azacycle - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen 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