Compound Identification
SMILES
CCC(C)C(N)C(=O)OCCOCC(=O)OCOC1=C(C=CC(F)=C1[C@H]1C[C@H]1NC(=O)NC1=NC=C(C=C1)C#N)C(=O)CC
InChIKey
InChIKey=MOBIJPFXSKLVKC-ZXCYUSBKSA-N
Formula
C30H36FN5O8
Mass
613.643
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
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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
Alkyl-phenylketones Alpha amino acid esters Phenylpropanes 3-pyridinecarbonitriles Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Fatty acid esters Fluorobenzenes Aryl fluorides Dicarboxylic acids and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid esters Ureas Acetals Dialkyl ethers Nitriles Azacyclic compounds Monoalkylamines Organic oxides Organofluorides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Alkyl-phenylketone - Phenylketone - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - 3-pyridinecarbonitrile - Aryl alkyl ketone - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Fatty acyl - Imidolactam - Heteroaromatic compound - Urea - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Acetal - Dialkyl ether - Ether - Carbonitrile - Nitrile - Cyanide - Organopnictogen compound - Aldehyde - Amine - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Primary amine - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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