Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2[C@H](SC1)[C@H](NC1=CC=[N+](C=C1)C1=CC=CC=C1C)C2=O)C([O-])=O
InChIKey
InChIKey=WVMGXBQQSVSHER-YLJYHZDGSA-N
Formula
C22H21N7O3S2
Mass
495.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Class
Carboxylic acids and derivatives
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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 Toluenes Aminopyridines and derivatives Secondary alkylarylamines Alkylarylthioethers Pyridinium derivatives 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Carboxylic acid salts Tertiary amines Amino acids Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - Toluene - Aminopyridine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Meta-thiazine - Benzenoid - Pyridinium - Monocyclic benzene moiety - Pyridine - Tertiary carboxylic acid amide - Azole - Tetrazole - Heteroaromatic compound - Beta-lactam - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Lactam - Tertiary amine - Dialkylthioether - Thioether - Hemithioaminal - Sulfenyl compound - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic salt - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - 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