Compound Identification
SMILES
COC(=O)C(CC(C)C)NC(=O)C1=C(C=C(NCC(N)CS)C=C1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=XVWPFYDMUFBHBF-UHFFFAOYSA-N
Formula
C27H33N3O3S
Mass
479.64
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
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Leucine 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
Leucine and derivatives
Alternative Parents
Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Aminobenzamides Naphthalenes Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Fatty acid esters Methyl esters Secondary carboxylic acid amides Alkylthiols Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Leucine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Naphthalene - Benzamide - Benzoic acid or derivatives - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary amine - Alkylthiol - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available