Compound Identification
SMILES
CSCCC(NC(=O)C(\NC(=O)C1=CC=C(Br)C=C1)=C/C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=HEZVUAKXVIXVMG-LDADJPATSA-N
Formula
C21H20BrN3O6S
Mass
522.37
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 Peptides
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Subclass
Amino acids, peptides, and analogues
-
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
Methionine and derivatives Hippuric acids and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cinnamic acid amides 4-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thia fatty acids Bromobenzenes Aryl bromides Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkylthioethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organobromides Organic zwitterions Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha peptide - Methionine or derivatives - Hippuric acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Benzoyl - Nitroaromatic compound - Bromobenzene - Halobenzene - Thia fatty acid - Benzenoid - Fatty acyl - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic oxide - Organic salt - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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