Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C(=O)N[C@@]1(OC)[C@H]2OCC(CSC3=NN=CN3CC(O)=O)=C(N2C1=O)C(=O)OCC1=CC=CC(C)=C1

InChIKey

InChIKey=PDFLMEOJDBZIJL-PXJZQJOASA-N

Formula

C29H29N5O9S

Mass

623.64

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Oxacephem - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Aryl thioether - Benzoyl - Anisole - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - 1,2,4-triazole - Lactam - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid - Carboxylic acid ester - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Ether - Organic oxygen compound - Amine - Organic oxide - Organosulfur compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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