Compound Identification
SMILES
[H]C(C)(CC)C([H])(N(C)C)C(=O)N=C(O)C([H])(C(C)C)N(C)C([H])(C([H])(C)CC)C([H])(CC(=O)N1CCCC1([H])C([H])(OC)C([H])(C)C(O)=NC([H])(CC1=CC=CC=C1)C1=NC=CS1)OC
InChIKey
InChIKey=QUBPPXJLERPMJG-UHFFFAOYSA-N
Formula
C43H70N6O6S
Mass
799.13
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
-
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
Amphetamines and derivatives N-acylpyrrolidines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines N-acylimines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Tertiary amine - N-acylimine - Tertiary aliphatic amine - Carboximidic acid - Carboximidic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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