Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)NCC(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=RWBJLSORGVEMHA-UHFFFAOYSA-N
Formula
C18H22N2O6S
Mass
394.44
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
-
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 esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides p-Methylbenzenesulfonates Tosyl compounds Benzyloxycarbonyls 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Primary amine - 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