Compound Identification
SMILES
CCOC(=O)CC[C@H](NC(=O)C1=CC=C(NCC(S)CNC2=C(Br)C(=O)N=C(N)N2)C=C1)C(=O)OCC
InChIKey
InChIKey=JBXHTTMCPWTVKQ-LYKKTTPLSA-N
Formula
C23H31BrN6O6S
Mass
599.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Glutamic acid and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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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
Glutamic acid and derivatives
Alternative Parents
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Fatty acid esters Halopyrimidines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Aryl bromides Hydropyrimidines Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Carboxylic acid esters Alkylthiols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Glutamic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Halopyrimidine - Fatty acid ester - Pyrimidone - Secondary aliphatic/aromatic amine - Benzenoid - Pyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Hydropyrimidine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Alkylthiol - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Carbonyl group - Primary amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available