Structure Information
Structure

Compound Identification

SMILES

CS[C@@H]([C@@H](NC[C@H](NC(=O)OC(C)(C)C)C(N)=O)C1=CC=CC=N1)C(=O)N1[C@H](C)[C@@H](OC1=O)C1=CC=CC=C1

InChIKey

InChIKey=OECLXUJTLYYTOI-UGTAXJHQSA-N

Formula

C27H35N5O6S

Mass

557.67

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Oxazolidinone - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Oxazolidine - Dicarboximide - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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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