Compound Identification
SMILES
CCC(O)(CC)COC1=C(C)C=C(C=C1)C(CC)(CC)C1=CC(C)=C(S1)C(=O)NCC(=O)OC
InChIKey
InChIKey=BKBPDDDACZWKAV-UHFFFAOYSA-N
Formula
C27H39NO5S
Mass
489.67
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 Phenylpropanes Thiophene carboxamides Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Toluenes Alkyl aryl ethers Tertiary alcohols Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Phenylpropane - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Phenoxy compound - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Methyl ester - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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