Compound Identification
SMILES
C[C@@H](O)[C@@H]1C2SC(OC3=CC=CC(=C3)[N+]([O-])=O)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=METCDQAVDXDDGR-CUTURGECSA-N
Formula
C14H12N2O7S
Mass
352.32
Taxonomic Classification
Taxonomy Tree
-
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
Nitrobenzenes Thiazolecarboxylic acids and derivatives Nitroaromatic compounds Phenoxy compounds Penems Vinylogous thioesters Vinylogous esters Monothioacetals Thiazolines Tertiary carboxylic acid amides Azetidines Secondary alcohols Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Thiazolecarboxylic acid or derivatives - Penem - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Thiazole - Meta-thiazoline - Tertiary carboxylic acid amide - Beta-lactam - Vinylogous ester - Monothioacetal - Carboxamide group - Lactam - C-nitro compound - Azetidine - Secondary alcohol - Organic nitro compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Alcohol - 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