Structure Information
Structure

Compound Identification

SMILES

C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1)C(=O)NO

InChIKey

InChIKey=HQRCRSUNHDSZOA-LLVKDONJSA-N

Formula

C17H18N4O5S

Mass

390.41

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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 - Nitrobenzene - Nitroaromatic compound - Phenol ether - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Hydroxamic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organosulfenic acid amide - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - 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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