Structure Information
Structure

Compound Identification

SMILES

CCCOC(=O)C(NCC1=CC=CC=C1)C1SC\C(=C/C=C2/C=C(CC(Cl)=O)C(=C)[CH+]C2=C)C(=N1)C(O)=O

InChIKey

InChIKey=XTVQZOMEIFVOGX-PANSPLHPSA-O

Formula

C29H30ClN2O5S

Mass

554.08

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - M-quinodimethane - Benzylamine - Phenylmethylamine - Aralkylamine - Meta-thiazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Ketimine - Carboxylic acid ester - Amino acid - Secondary amine - Azacycle - Acyl halide - Acyl chloride - Carboxylic acid - Secondary aliphatic amine - Thioether - Organoheterocyclic compound - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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