Compound Identification
SMILES
CNC(=S)C1(CCCCC1OC(=O)[C@H](CC(O)=O)NS(=O)(=O)C1=CC=CC=C1)C1=CN2C=CN=C2C=C1
InChIKey
InChIKey=MHJGBWKBGQVIMX-IXCHTMLJSA-N
Formula
C25H28N4O6S2
Mass
544.64
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 esters Benzenesulfonamides Benzenesulfonyl compounds Imidazo[1,2-a]pyridines Imidazopyridines Fatty acid esters N-substituted imidazoles Organosulfonamides Pyridines and derivatives Dicarboxylic acids and derivatives Thioamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Azacyclic compounds Thiocarboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Benzenesulfonamide - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Pyridine - Organosulfonic acid amide - Benzenoid - Fatty acyl - Heteroaromatic compound - Thioamide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Azole - Imidazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Carboxylic acid - Thiocarbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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