Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N(CCC(N)=O)C(S2)N=NC1=CC=C(NC(C)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=ZPCZPVIMSHSECA-UHFFFAOYSA-N
Formula
C27H31N5O2S
Mass
489.64
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
Amphetamines and derivatives Phenylpropanes Benzothiazoles Phenylalkylamines Phenol ethers Dialkylarylamines Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Alkylarylthioethers Thiazoles Primary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Phenylpropane - Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Thiazole - Azo compound - Carboxamide group - Primary carboxylic acid amide - Ether - Organic 1,3-dipolar compound - Azacycle - Secondary amine - Thioether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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