Structure Information
Structure

Compound Identification

SMILES

O[C@H](CCCCCOC1=CC(=CC(=N1)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1)NC(CC1=CC=C(OCCCNC(=O)C2=CN=C([NH2+]\N=C\C3=CC=CC=C3S([O-])(=O)=O)C=C2)C=C1)C(O)=O

InChIKey

InChIKey=FVTCLOWIXKOFMX-CNOLJOKMSA-N

Formula

C49H50N6O11S

Mass

931.03

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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 heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - 2-phenylpyridine - 4-phenylpyridine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Benzodioxole - 1-sulfo,2-unsubstituted aromatic compound - Nicotinamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hemiaminal - Carboxamide group - Secondary carboxylic acid amide - Acetal - Alkanolamine - Oxacycle - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic 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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