Compound Identification
SMILES
CCC(C)[C@@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CSC1=CC=CC=C1C(=O)NC(C)(C)C
InChIKey
InChIKey=NOYZFBRDRDEECH-VMUQKPMVSA-N
Formula
C37H44N4O4S
Mass
640.84
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
N-acyl-alpha amino acids and derivatives Quinoline carboxamides Alpha amino acid amides Amphetamines and derivatives O-sulfanylbenzoic acids and derivatives Benzamides Pyridinecarboxylic acids and derivatives Benzoyl derivatives 2-heteroaryl carboxamides Thiophenol ethers Alkylarylthioethers N-acyl amines Vinylogous thioesters Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Amphetamine or derivatives - O-sulfanylbenzoic acid or derivatives - Quinoline - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Vinylogous thioester - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organosulfur 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