Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(SC1)C(NC1=CC=CC=[N+]1C)C2=O)C([O-])=O
InChIKey
InChIKey=VDNMYVDYLAWFES-UHFFFAOYSA-N
Formula
C16H17N7O3S2
Mass
419.48
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
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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 Secondary alkylarylamines Alkylarylthioethers N-methylpyridinium compounds Aminopyridines and derivatives Pyridinium derivatives 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Tertiary amines Carboxylic acid salts Amino acids Dialkylthioethers Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - N-methylpyridinium - Aminopyridine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Meta-thiazine - Pyridinium - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Beta-lactam - Tetrazole - Lactam - Carboxylic acid salt - Carboxamide group - Azetidine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Secondary amine - Organic oxide - Amine - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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