Structure Information
Structure

Compound Identification

SMILES

CCCCCC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC3=CC=CC=C3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C2(C)C)OC(C)=O

InChIKey

InChIKey=JFBLXMXVNGUNOG-MYKUDTPBSA-N

Formula

C45H60N2O15

Mass

868.974

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Dicarboxylic acid or derivatives - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Fatty acyl - Carbamic acid ester - Meta-dioxolane - Cyclic alcohol - Oxetane - Carbonic acid derivative - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - 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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