Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](NC(=O)NCC1=CC=CO1)C(C)C

InChIKey

InChIKey=VTQXRLLQYZXPLE-JTQLQIEISA-N

Formula

C12H18N2O4

Mass

254.286

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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-carbamoyl-alpha amino acids and derivatives

Direct Parent

N-carbamoyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - Valine or derivatives - Fatty acid ester - Fatty acyl - Furan - Methyl ester - Heteroaromatic compound - Urea - Carbonic acid derivative - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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