Compound Identification
SMILES
COC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@H](CC3=CC=CC=C3)SC(C)=O)C(=O)N12
InChIKey
InChIKey=ZXSRQPGLEUPHJC-MUGJNUQGSA-N
Formula
C23H30N2O5S
Mass
446.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters Piperidinecarboxylic acids Caprolactams Azepanes Benzene and substituted derivatives Fatty amides Hydropyridines Methyl esters Tertiary carboxylic acid amides Carbothioic S-esters Thioesters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Piperidinecarboxylic acid - Caprolactam - Azepane - Monocyclic benzene moiety - Fatty amide - Hydropyridine - Piperidine - Benzenoid - Fatty acyl - Tertiary carboxylic acid amide - Methyl ester - Thiocarboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen 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