Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(C=C(C=C2)S(O)(=O)=O)C2(C)CCCCNC3=NC(NCCCC[N+]4=C(\C=C\C=C\C=C1/2)C(C)(C)C1=C4C=CC(=C1)S(O)(=O)=O)=NC(NCCC(=O)ON1C(=O)CCC1=O)=N3

InChIKey

InChIKey=FSDWBWQHANDLDF-UHFFFAOYSA-O

Formula

C43H52N9O10S2

Mass

919.06

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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-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Pyrrolidone - 1,3,5-triazine - 2-pyrrolidone - Benzenoid - Triazine - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Lactam - Azacycle - Organoheterocyclic compound - Enamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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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