Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCCCNC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OP(=O)(OC)C1=CC=CC=C1)N2

InChIKey

InChIKey=BTSAWBDRKHCCSQ-BARUVXDHSA-N

Formula

C22H33N2O6P

Mass

452.488

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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 - 3-piperidinecarboxamide - Piperidinecarboxamide - Tropane alkaloid - Fatty acid ester - Fatty acid methyl ester - Phosphonic acid diester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Piperidine - Phosphonic acid ester - Methyl ester - Pyrrolidine - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic oxygen 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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