Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CN2C(=S)NC3=C2C(CN1CC=C(C)C)=C(Cl)C=C3.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1

InChIKey

InChIKey=BPMZXWASODISMH-ULFDKAISSA-N

Formula

C54H70ClN9O5S

Mass

992.72

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Phenylbutylamine - 1,4-benzodiazepine - Benzodiazepine - Amphetamine or derivatives - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Benzimidazole - 2-heteroaryl carboxamide - Para-diazepine - Aralkylamine - N-substituted imidazole - Aryl chloride - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Benzenoid - Pyridine - Imidazole-2-thione - Piperidine - Fatty acyl - Aryl halide - Heteroaromatic compound - Imidazole - Azole - 1,2-aminoalcohol - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

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