Structure Information
Structure

Compound Identification

SMILES

CC1CC(NC1C1=NC(=CS1)C1=NC(=CS1)C1=C(C=CC(=N1)C1=NC(=CS1)C(O)=O)C1=NC(C(=O)NC(CC(N)=O)C2=NC(=CS2)C(O)=O)=C(C)O1)OC1=CC=CC=C1

InChIKey

InChIKey=NHWYHEHXSIUAGG-UHFFFAOYSA-N

Formula

C38H31N9O8S4

Mass

869.96

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Thiazolecarboxylic acid or derivatives - Phenol ether - 2,4-disubstituted 1,3-thiazole - Pyridine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Azole - Thiazole - Oxazole - Pyrrolidine - Heteroaromatic compound - Amino acid - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Aromatic heteromonocyclic 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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