Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@@H]1N[C@H]([C@@H](O1)C(=O)NC(=O)OC(C)(C)CC1C2CCC3(CNS(=O)(=O)C13)C2(C)C)C1=CC=CC=C1

InChIKey

InChIKey=KEYMQEKHNVQLMM-WPEVDJHSSA-N

Formula

C32H41N3O7S

Mass

611.75

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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 - Aromatic monoterpenoid - Norbornane monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Gamma-sultam - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Dicarboximide - Oxazolidine - Carbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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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