Structure Information
Structure

Compound Identification

SMILES

CC(C)NC1=C(F)C(NNC(=O)[C@@H](CNC(O)=O)CC2CCCC2)=NC(Cl)=N1.CC(C)NC1=C(F)C(NNC(=O)[C@@H](CNC(=O)OCC2=CC=CC=C2)CC2CCCC2)=NC(Cl)=N1

InChIKey

InChIKey=DFVNUWOKLHDPMD-VCFOMIHMSA-N

Formula

C41H58Cl2F2N12O6

Mass

923.89

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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

Not available

Substituents

Beta amino acid or derivatives - Benzyloxycarbonyl - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Carbamic acid - Carbamic acid derivative - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Amine - Organofluoride - Organonitrogen 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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