Compound Identification
SMILES
CC(C)[C@@H](N1C=C2C=CC=CC2=C1SC[C@H](NC(C)=O)C(O)=O)C(O)=O
InChIKey
InChIKey=DLQUETFHQQTKAC-LSDHHAIUSA-N
Formula
C18H22N2O5S
Mass
378.44
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 Valine and derivatives
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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
Direct Parent
Valine and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids Cysteine and derivatives Isoindoles and derivatives Alkylarylthioethers Substituted pyrroles Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Acetamides Sulfenyl compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Cysteine or derivatives - Isoindole or derivatives - Aryl thioether - Alkylarylthioether - Benzenoid - Substituted pyrrole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Acetamide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available