Compound Identification
SMILES
COC1=C(OC)C=C(CCNCCC(=O)N2CCCSC3=C2C=CS3)C=C1
InChIKey
InChIKey=INWPNKAOHQTOAY-UHFFFAOYSA-N
Formula
C20H26N2O3S2
Mass
406.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
-
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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Thioether - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available