Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@H](CCCCNC1=CC(Cl)=C(C=C1C(=O)OCC)S(N)(=O)=O)N(CC1=CC=CC=C1)C(=O)[C@H](C)N([C@@H](CCC1=CC=CC=C1)C(=O)OCC)C(=O)OCC(Cl)(Cl)Cl

InChIKey

InChIKey=UEAPJOLBXIYXAP-UZZXRHIMSA-N

Formula

C42H52Cl4N4O11S

Mass

962.76

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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 homomonocyclic compounds

Substituents

Alpha-amino acid ester - Aminobenzenesulfonamide - Alanine or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Fatty acid ester - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Aminosulfonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary amine - Organooxygen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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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