Compound Identification
SMILES
C[C@@]1(COC(=O)CC2=CC=CC=C2)S[C@H]2N([C@H]1C(O)=O)C(=O)\C2=C\C1=CC=CC=N1
InChIKey
InChIKey=QDFUTEBDMDBPFE-IKGOSQBUSA-N
Formula
C22H20N2O5S
Mass
424.47
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
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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
Penams Benzene and substituted derivatives Dicarboxylic acids and derivatives Pyridines and derivatives Thiazolidines Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Penam - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - 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