Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12.CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO

InChIKey

InChIKey=OWWCPSXLFIALLD-AGNATJBLSA-N

Formula

C45H76N4O13S2

Mass

945.24

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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

Not available

Substituents

Beta amino acid or derivatives - Delta_valerolactone - Fatty acid ester - Delta valerolactone - N-acyl-amine - Monosaccharide - Oxane - Fatty amide - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Lactone - Carboxylic acid ester - Organic disulfide - Dialkyldisulfide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Primary alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic 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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