Structure Information
Structure

Compound Identification

SMILES

CCCC1N2CCC(N)(CC3=CC=C(C)C=C3)C(=O)N2C(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)C(=O)NCC2=CC=C(C=C2)C(N)=O)=C1S(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=BBWYFGKQIGOPGH-VBTRYNEHSA-N

Formula

C46H61N7O9S

Mass

888.09

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Alpha-amino acid or derivatives - Tosyl compound - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Toluene - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - 1,2-diazinane - Fatty amide - Pyridazine - Monosaccharide - Fatty acyl - Carbamic acid ester - Sulfonyl - Sulfone - Pyrazoline - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Primary aliphatic amine - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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