Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=CC=CC=C2C(COC2=CC=C(C=C2)S(=O)(=O)NC[C@@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)=C1

InChIKey

InChIKey=IVLLKNCAVYHIFI-XMMPIXPASA-N

Formula

C25H31N5O7S2

Mass

577.67

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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 - Alpha-amino acid or derivatives - Quinoline - Benzenesulfonamide - N-piperazineacetamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - Piperazine - Pyridine - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Hydroxamic acid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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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