Compound Identification
SMILES
CC(C)CC(NC(CC1=CC=CS1)C(O)=O)C(O)=O
InChIKey
InChIKey=IMNQBFGKYAPOJT-UHFFFAOYSA-N
Formula
C13H19NO4S
Mass
285.36
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 Leucine 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
Leucine and derivatives
Alternative Parents
Alpha amino acids Aralkylamines Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Leucine or derivatives - Alpha-amino acid - Aralkylamine - Dicarboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Amino acid - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available