Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CC(N(CCCNC(=O)OC(C)(C)C)C(=O)C[N+]2=CC=C(SCC3=C(N4[C@H](SC3)[C@@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C4=O)C(O)=O)C=C2)C(O)=O)C=C1

InChIKey

InChIKey=USPHLGBDXDOYHA-SUFUUGKXSA-O

Formula

C41H46Cl2N5O10S3

Mass

935.92

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - Cephalosporin - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - Cephem - Thiophenol ether - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - 1,4-dichlorobenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Pyridinium - Tertiary carboxylic acid amide - Carbamic acid ester - Beta-lactam - Heteroaromatic compound - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Hemithioaminal - Thioether - Sulfenyl compound - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Carbonyl group - Organohalogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organochloride - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound

Description

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