Compound Identification
SMILES
CC1=CC=C(NC(=O)CN2C(=O)NC(=CC3=CC(Br)=C(OCC(O)=O)C=C3)C2=O)C=C1
InChIKey
InChIKey=XVNRNJUMQSHMML-UHFFFAOYSA-N
Formula
C21H18BrN3O6
Mass
488.294
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Not available
Direct Parent
Peptides
Alternative Parents
Alpha amino acid amides Phenoxyacetic acid derivatives Hydantoins Anilides Phenoxy compounds Phenol ethers N-arylamides Bromobenzenes Alkyl aryl ethers N-acyl amines Dicarboximides Organic carbonic acids and derivatives Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha peptide - Alpha-amino acid amide - Phenoxyacetate - Hydantoin - Alpha-amino acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - N-acyl-amine - Imidazolidinone - Monocyclic benzene moiety - Imidazolidine - Dicarboximide - Carbonic acid derivative - Carboxamide group - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available