Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](OC(=O)CCCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1

InChIKey

InChIKey=RMTFFAQTWLBIRE-FQYKPSAESA-N

Formula

C55H76N6O12

Mass

1013.243

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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

Aromatic heteropolycyclic compounds

Substituents

Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Quinoline - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fatty acid ester - Ketal - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Piperidine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Oxolane - Meta-dioxolane - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Acetal - Ether - Dialkyl ether - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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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