Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)[NH3+])C(=O)C1=NC2=CC=CC=C2S1

InChIKey

InChIKey=IIHJVIGCQMJFSL-WEMUQIOZSA-O

Formula

C20H28N7O7S

Mass

510.55

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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

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid amide - 1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Benzenoid - Acetamide - Quaternary ammonium salt - Pyrrolidine - Tertiary carboxylic acid amide - Organic nitrate - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Guanidine - Ketone - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboximidamide - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic salt - Alcohol - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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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