Compound Identification
SMILES
[Na+].[Na+].COC1=C(C=C(C)C(=C1)S(=O)(=O)CCOS([O-])(=O)=O)N=NC1C(C)=NN(C1=O)C1=CC=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=VMRASBDRVJTOLR-UHFFFAOYSA-L
Formula
C20H20N4Na2O11S3
Mass
634.56
Taxonomic Classification
Taxonomy Tree
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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
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Toluenes Pyrazolones Sulfuric acid monoesters Alkyl sulfates Sulfones Organosulfonic acids Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Toluene - Alkyl aryl ether - Sulfuric acid monoester - Monocyclic benzene moiety - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Pyrazolinone - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Organic sulfuric acid or derivatives - Sulfone - Organosulfonic acid - Pyrazoline - Azo compound - Azacycle - Organic alkali metal salt - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available