Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC1=C2C(SC3=C2[C@H](C)CCC3)=NC=N1)C([O-])=O

InChIKey

InChIKey=XLTXJBXYBVTFSV-HTQZYQBOSA-M

Formula

C14H16N3O2S

Mass

290.36

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Taxonomic Classification

Taxonomy Tree

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 - Alpha amino acids and derivatives

Direct Parent

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alanine or derivatives - D-alpha-amino acid - Thienopyrimidine - Aminopyrimidine - Pyrimidine - Imidolactam - Thiophene - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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