Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(OC1)[C@@H](NC1=CC=[N+](CC3=CC=CC=C3)C=C1)C2=O)C(O)=O
InChIKey
InChIKey=IUDVRVBRWKFRJX-DIMJTDRSSA-O
Formula
C22H22N7O4S
Mass
480.52
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
Oxacephems Alkylarylthioethers Aminopyridines and derivatives Secondary alkylarylamines Benzene and substituted derivatives Pyridinium derivatives Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Azetidines Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Oxacephem - Aryl thioether - Aminopyridine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Amino acid - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - 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