Compound Identification
SMILES
NC(=N)C1=CC2=C(N\C(N2)=C2\C=C(CC(=O)N[C@H](CC(O)=O)C(O)=O)C=C(C2=O)C2=C(O)C=CC(NS([O-])=O)=C2)C=C1
InChIKey
InChIKey=FXNZZHSPWIBHOS-DUYBAWCLSA-M
Formula
C26H23N6O9S
Mass
595.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
N-acyl-alpha amino acids Benzimidazoles O-quinomethanes 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Secondary carboxylic acid amides Ketene acetals Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Benzimidazole - O-quinomethane - Quinomethane - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Amidine - Carboxylic acid amidine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic anion - 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