Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(SC1)[C@H](NC1=CC=[N+](CC3=CC=CC=C3)C=C1)C2=O)C(O)=O
InChIKey
InChIKey=MZRVUZHPHNYXTK-DIAVIDTQSA-O
Formula
C22H22N7O3S2
Mass
496.58
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
Cephems Alkylarylthioethers Aminopyridines and derivatives Secondary alkylarylamines 1,3-thiazines Benzene and substituted derivatives Pyridinium derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Tertiary amines Azetidines Dialkylthioethers Sulfenyl compounds Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - Aminopyridine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Meta-thiazine - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Azole - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Amino acid - Carboxamide group - Lactam - Tertiary amine - Thioether - Dialkylthioether - Hemithioaminal - Secondary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organosulfur compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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