Compound Identification
SMILES
CCCC[C@@H](NC(=O)C1=CC=C(S1)C#CC(C)(C)O)C(O)=O
InChIKey
InChIKey=LDIRHMPPDZILID-GFCCVEGCSA-N
Formula
C16H21NO4S
Mass
323.41
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
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Thiophene carboxamides 2-heteroaryl carboxamides Medium-chain fatty acids 2,5-disubstituted thiophenes Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Ynones Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - 2,5-disubstituted thiophene - Ynone - Fatty acyl - Heteroaromatic compound - Thiophene - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available