Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@@H](O)[C@H]1[C@H]2CC(NCCN=CN)=C(N2C1=O)C(O)=O.CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C([O-])=O

InChIKey

InChIKey=ZUYXKOGCKYEFON-VJRLFRHPSA-M

Formula

C28H43N6NaO9S

Mass

662.73

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Not available

Substituents

N-acyl-alpha-amino acid - L-cysteine-s-conjugate - Cysteine or derivatives - Carbapenem - L-alpha-amino acid - Alpha-amino acid - Medium-chain fatty acid - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyrroline - Vinylogous amide - Tertiary carboxylic acid amide - Beta-lactam - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Formamidine - Organoheterocyclic compound - Carboximidamide - Organic alkali metal salt - Organic 1,3-dipolar compound - Dialkylthioether - Thioether - Carboxylic acid amidine - Azacycle - Carboxylic acid - Amidine - Enamine - Secondary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic salt - Organooxygen compound - Organosulfur compound - Primary amine - Organic sodium salt - Alcohol - Organic zwitterion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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