Compound Identification
SMILES
CSCC[C@H](NC(=O)C(\NC(=O)C1=CC=CC=C1)=C/C1=CC2=C(OCO2)C=C1)C(O)=O
InChIKey
InChIKey=CSSWRNDDVNXJLD-KTZOAPACSA-N
Formula
C22H22N2O6S
Mass
442.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Methionine and derivatives Hippuric acids and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Cinnamic acid amides Benzodioxoles Benzoyl derivatives Thia fatty acids Secondary carboxylic acid amides Acetals Sulfenyl compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Methionine or derivatives - Hippuric acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - Benzamide - Benzodioxole - Benzoic acid or derivatives - Benzoyl - Thia fatty acid - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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