Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(SC1)C(NC1=CC=CC=[N+]1C)C2=O)C(O)=O
InChIKey
InChIKey=VDNMYVDYLAWFES-UHFFFAOYSA-O
Formula
C16H18N7O3S2
Mass
420.49
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 N-methylpyridinium compounds 1,3-thiazines Pyridinium derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Aryl thioether - Secondary aliphatic/aromatic amine - N-methylpyridinium - Aminopyridine - Alkylarylthioether - Meta-thiazine - Pyridinium - Pyridine - Tertiary carboxylic acid amide - Tetrazole - Beta-lactam - Azole - Heteroaromatic compound - Azetidine - Carboxamide group - Amino acid - Lactam - Tertiary amine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Secondary amine - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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