Compound Identification
SMILES
CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCC1=CC=C(C=C1)S(N)(=O)=O
InChIKey
InChIKey=PADMSKLBVWORHM-ICSQTIAXSA-N
Formula
C16H28N4O3S2
Mass
388.55
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 Isoleucine 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
Isoleucine and derivatives
Alternative Parents
Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Dialkylamines Alkylthiols Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid amide - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Organosulfonic acid amide - N-acyl-amine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Alkylthiol - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available