Compound Identification
SMILES
[Na+].OC1=CC=C(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/C4=CC=CC=N4)C3=O)S(=O)(=O)C2)C([O-])=O)C=C1
InChIKey
InChIKey=MCJOFYQAVRNIBJ-KDNQESMTSA-M
Formula
C22H16N3NaO7S
Mass
489.43
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
-
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
Cephems Anilides N-arylamides 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives 1,3-thiazines Heteroaromatic compounds Tertiary carboxylic acid amides Sulfones Secondary carboxylic acid amides Amino acids Azetidines Tertiary amines Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Anilide - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Meta-thiazine - Monocyclic benzene moiety - Pyridine - Benzenoid - Beta-lactam - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic zwitterion - Organic sodium salt - Organonitrogen compound - Organic salt - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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