Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC1CCN2C1C(=O)N1CC(CC1C2=O)SCC1=CC=CO1
InChIKey
InChIKey=CIMTYICPSHNHJQ-UHFFFAOYSA-N
Formula
C23H25N3O5S
Mass
455.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzamides 2,5-dioxopiperazines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers N-alkylpiperazines Tertiary carboxylic acid amides Pyrrolidines Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenol ether - Dioxopiperazine - 2,5-dioxopiperazine - Benzoyl - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Ether - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available