Compound Identification
SMILES
CC[C@H](C)[C@@H](NC1=NS(=O)(=O)C2=CC=CC=C12)C(=O)N1CCC[C@@H](C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=PCUHYECMRAHCQY-PNLZDCPESA-N
Formula
C25H28N4O3S2
Mass
496.64
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 N-acylpiperidines Benzothiazoles Imidolactams Benzenoids Thiazoles Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Tertiary amines Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid amide - 1,2-benzothiazole - 1,3-benzothiazole - N-acyl-piperidine - Imidolactam - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Tertiary amine - Amidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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