Compound Identification
SMILES
C[C@]1(COC(=O)CC2=CC(O)=C(O)C=C2)[C@@H](N2[C@@H](\C(=C/C3=CC=CC=N3)C2=O)S1(=O)=O)C(O)=O
InChIKey
InChIKey=YNTFTTQGRLUAOE-MPSDLUJOSA-N
Formula
C22H20N2O9S
Mass
488.47
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
-
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
Catechols Penams 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Dicarboxylic acids and derivatives Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Sulfones Thiazolidines Carboxylic acid esters Azetidines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Catechol - Penam - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Beta-lactam - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Sulfone - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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