Structure Information
Structure

Compound Identification

SMILES

[NH3+][C@H]1[C@H]2SCC(COC3=NC4=C(N=N3)C3=CC=CC=C3N4)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=BDNKYJMGRUFDEY-MEBBXXQBSA-N

Formula

C17H14N6O4S

Mass

398.4

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Indole or derivatives - Cephem - Indole - Alkyl aryl ether - Meta-thiazine - 1,2,4-triazine - Benzenoid - Triazine - Pyrrole - Quaternary ammonium salt - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Carboxylic acid salt - Lactam - Carboxamide group - Tertiary amine - Azetidine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Ether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organic salt - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen 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

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