Compound Identification
SMILES
CSC1(NCC2=CC3=C(OCO3)C=C2)NNC(=C)C(=O)N1
InChIKey
InChIKey=UEBHQBVZHNUQBO-UHFFFAOYSA-N
Formula
C13H16N4O3S
Mass
308.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Benzodioxoles 1,2,4-triazinanes 1,2,4-triazines Benzenoids Secondary carboxylic acid amides Ortho amides Lactams Sulfenyl compounds Oxacyclic compounds Acetals Alkylhydrazines Dialkylthioethers Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - 1,2,4-triazinane - Triazinane - 1,2,4-triazine - Triazine - Benzenoid - Carboxamide group - Lactam - Ortho amide - Secondary carboxylic acid amide - Acetal - Alkylhydrazine - Oxacycle - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrazine derivative - 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