Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)N1CCC2(CCN(C2)C(=O)C(CC2=CC=CS2)NC(C)=O)CC1
InChIKey
InChIKey=FCCVHLVINRFSJA-UHFFFAOYSA-N
Formula
C27H31N3O5S
Mass
509.62
Taxonomic Classification
Taxonomy Tree
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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
- 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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Azaspirodecane derivatives N-acylpiperidines Benzofurans 2-heteroaryl carboxamides N-acylpyrrolidines Furoic acid and derivatives Anisoles Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Azaspirodecane - Benzofuran - N-acyl-piperidine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Anisole - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Benzenoid - Piperidine - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Pyrrolidine - Thiophene - Furan - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available