Compound Identification
SMILES
CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)C1=C(OCC2=CC=CC=C2)C=C(N)C=C1)C(N)=O
InChIKey
InChIKey=KPWRDUVESIMHLE-INIZCTEOSA-N
Formula
C21H27N3O6S
Mass
449.52
Taxonomic Classification
Taxonomy Tree
-
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
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
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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
Aminobenzenesulfonamides Aminophenyl ethers Benzenesulfonyl compounds Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Fatty acid esters Fatty amides Organosulfonamides Aminosulfonyl compounds Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Aminobenzenesulfonamide - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Primary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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