Structure Information
Structure

Compound Identification

SMILES

CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OCC3=CC=CC=C3)C(=O)COC(=O)NC(=O)C3CCN(CC3)S(=O)(=O)C3=CC=CC=C3C3=C4C=CC(=CC4=[O+]C4=C3C=CC(=C4)N3CCC4=CC=CC=C34)N3CCC4=CC=CC=C34)C3=C(C=C(C=C3)S(O)(=O)=O)C2(C)C)C(C)(C)C2=C1C=CC(=C2)S(O)(=O)=O

InChIKey

InChIKey=NHFZXXQVIASEQR-IORVGHRDSA-P

Formula

C100H107N9O17S3

Mass

1803.18

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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 - Xanthene - Dibenzopyran - Alpha-amino acid amide - Alkyldiarylamine - Amphetamine or derivatives - 1-benzopyran - 3-alkylindole - Benzenesulfonamide - Benzopyran - Benzyloxycarbonyl - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Piperidinecarboxamide - Indole or derivatives - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - Fatty amide - Fatty acyl - Piperidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Dicarboximide - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Carbamic acid ester - Secondary carboxylic acid amide - Ketone - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Enamine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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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