Structure Information
Structure

Compound Identification

SMILES

[Cl-].O=C(N[C@@H](CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)C1=C(NC=N1)C(=O)NC1CC[NH2+]CC1

InChIKey

InChIKey=JLUBTACBQBVFIB-BOXHHOBZSA-N

Formula

C26H30ClN5O4

Mass

512.01

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Benzyloxycarbonyl - 2-heteroaryl carboxamide - Fatty acid ester - Imidazole-4-carbonyl group - Piperidine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organic zwitterion - Organic salt - Amine - Organic nitrogen compound - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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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