Structure Information
Structure

Compound Identification

SMILES

CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2.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=SREDCRGYQBBBNK-YOXDLBRISA-N

Formula

C60H78N12O8S

Mass

1127.42

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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 - Pyridinylpiperazine - Indolecarboxylic acid derivative - Indolecarboxamide derivative - N-arylpiperazine - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Quinoline - Sulfanilide - Piperidinecarboxamide - 2-piperidinecarboxamide - Indole - Indole or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Dialkylarylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Aminopyridine - Organic sulfonic acid amide - Piperazine - Pyridine - Substituted pyrrole - Fatty acyl - Fatty amide - Piperidine - 1,4-diazinane - Monocyclic benzene moiety - Organosulfonic acid amide - Imidolactam - N-acyl-amine - Benzenoid - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - 1,2-aminoalcohol - Secondary amine - Organoheterocyclic compound - Azacycle - Organosulfur compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - 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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