Compound Identification
SMILES
CC(C)CC(NC(=O)C1=C(C=C(NCC([NH3+])CS)C=C1)C1=CC=CC2=CC=CC=C12)C([O-])=O
InChIKey
InChIKey=PKMVDYSKPDHRLR-UHFFFAOYSA-N
Formula
C26H31N3O3S
Mass
465.61
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 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
N-acyl-alpha amino acids Hippuric acids Aminobenzamides Naphthalenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Quaternary ammonium salts Secondary carboxylic acid amides Amino acids Carboxylic acid salts Alkylthiols Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Leucine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Naphthalene - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Alkylthiol - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Amine - Primary aliphatic amine - Organic oxygen 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