Compound Identification
SMILES
CCC(C)C(NC(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C(=O)OC
InChIKey
InChIKey=NVXFVZSZZYCIFB-UHFFFAOYSA-N
Formula
C20H29N3O5
Mass
391.468
Taxonomic Classification
Taxonomy Tree
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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
Alpha amino acid esters N-carbamoyl-alpha amino acids Piperazine carboxamides Benzodioxoles Aralkylamines Fatty acid esters N-alkylpiperazines Benzenoids Methyl esters Trialkylamines Ureas Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - N-carbamoyl-alpha-amino acid or derivatives - Benzodioxole - Piperazine-1-carboxamide - Fatty acid ester - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Benzenoid - Fatty acyl - Methyl ester - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Amine - 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