Compound Identification
SMILES
CC(=O)N[C@@H](CSC1CC(=O)C=C2C(C#N)=C(N)N(C3=CC=CC=C3)C12C)C(O)=O
InChIKey
InChIKey=CBCYAHKLOAXFPI-XPQZIERPSA-N
Formula
C21H22N4O4S
Mass
426.49
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 9 N-acyl-L-alpha-amino acids
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Level 8
N-acyl-alpha amino acids
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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 - N-acyl-alpha amino acids
Direct Parent
N-acyl-L-alpha-amino acids
Alternative Parents
Cysteine and derivatives Phenylpyrrolines Indoles and derivatives Cyclohexenones Benzene and substituted derivatives Acetamides Pyrroles Secondary carboxylic acid amides Ketene acetals Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Nitriles Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-l-alpha-amino acid - Cysteine or derivatives - 1-phenylpyrroline - Indole or derivatives - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrroline - Acetamide - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Organoheterocyclic compound - Dialkylthioether - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors
Not available