Structure Information
Structure

Compound Identification

SMILES

CC(C)N(CCNC(=O)CCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)CCNC(=O)C3=CC(NC(=O)C4=CC(NC(=O)C5=CC=C(Br)S5)=CN4C)=CN3C)=CN2C)=CN1C)C(C)C

InChIKey

InChIKey=QFXAGMAOTMKLCW-UHFFFAOYSA-N

Formula

C43H55BrN12O7S

Mass

963.95

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - N-arylamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Substituted pyrrole - N-methylpyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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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