Compound Identification
SMILES
N[C@@H](CSCC(NC(=O)NC1=CC=CC=C1)C#N)C(O)=O
InChIKey
InChIKey=QOJKMYFKSUSUIZ-DTIOYNMSSA-N
Formula
C13H16N4O3S
Mass
308.36
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
Cysteine and derivatives
- Level 8 L-cysteine-S-conjugates
-
Level 7
Cysteine 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 - Cysteine and derivatives
Direct Parent
L-cysteine-S-conjugates
Alternative Parents
N-phenylureas L-alpha-amino acids Ureas Amino acids Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
L-cysteine-s-conjugate - Alpha-amino acid - N-phenylurea - L-alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Amino acid - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Cyanide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
External Descriptors
Not available