Compound Identification
SMILES
COC1=C(C=CC(SC)=C1)C(=O)NC1C=C(CC(O)C1O)C(=O)NC(CC(C)C)C(N)=O
InChIKey
InChIKey=HPMQKOJDYCDOML-UHFFFAOYSA-N
Formula
C22H31N3O6S
Mass
465.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives P-sulfanylbenzoic acids and derivatives Benzamides Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Fatty amides 1,2-diols Secondary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Leucine or derivatives - N-acyl-alpha amino acid or derivatives - P-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - 1,2-diol - Carboxamide group - Sulfenyl compound - Thioether - Ether - Organosulfur compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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