Compound Identification
SMILES
OCC[C@@H]1[C@H]2S[C@H]([C@@H](N2C1=O)C(O)=O)C1=CC=C(C[N+]2=CC=C(C=C2)C(=O)NO)C=C1
InChIKey
InChIKey=LJVGJYQOEADSQK-PFRQMTDMSA-O
Formula
C21H22N3O6S
Mass
444.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Pyridinecarboxylic acids and derivatives Penams Pyridinium derivatives Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Hydroxamic acids Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Penam - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Carboxamide group - Hydroxamic acid - Lactam - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Organic cation - 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