Compound Identification
SMILES
CC1=CC(SC2=CC=C(NC(=O)C[NH+]3CCN(CC3)C(=O)C3=CC=CO3)C=C2)=C(C)C=C1
InChIKey
InChIKey=PIXIPSBMNRCLHX-UHFFFAOYSA-O
Formula
C25H28N3O3S
Mass
450.58
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Alpha amino acid amides
Alternative Parents
Diarylthioethers N-piperazineacetamides Anilides 2-heteroaryl carboxamides p-Xylenes Furoic acid and derivatives N-arylamides Thiophenol ethers N-alkylpiperazines Heteroaromatic compounds Quaternary ammonium salts Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Diarylthioether - N-piperazineacetamide - Anilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aryl thioether - Thiophenol ether - N-arylamide - P-xylene - Xylene - N-alkylpiperazine - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Furan - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available