Compound Identification
SMILES
CCC1=CC=CC=C1C(=O)NC(=O)[C@H](CC(O)=O)NS(=O)(=O)CC1=CC=CC=C1
InChIKey
InChIKey=TXIMCTWJUPECGA-KRWDZBQOSA-N
Formula
C20H22N2O6S
Mass
418.46
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
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid amides Benzoic acids and derivatives Benzoyl derivatives Organosulfonamides Organic sulfonamides N-acyl amines N-unsubstituted carboxylic acid imides Dicarboximides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid amide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - N-acyl-amine - Organic sulfonic acid amide - Organosulfonic acid amide - Carboxylic acid imide - Dicarboximide - Aminosulfonyl compound - Carboxylic acid imide, n-unsubstituted - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic 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