Compound Identification
SMILES
COC1=CC=CC(C=NC2=CC=C(C=C2)C(=O)NN2C(=O)C(CNC3=CC=CC=C3)C(=O)N(C2=S)C2=CC=C(Cl)C=C2)=C1
InChIKey
InChIKey=ZMYSDIWXKNRUEJ-UHFFFAOYSA-N
Formula
C32H26ClN5O4S
Mass
612.1
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
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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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
Benzoic acids and derivatives Thiobarbituric acid derivatives Benzoyl derivatives Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Secondary alkylarylamines Chlorobenzenes Alkyl aryl ethers 1,3-dicarbonyl compounds Diazinanes Aryl chlorides Thiosemicarbazides Shiff bases Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Thiobarbiturate - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Secondary aliphatic/aromatic amine - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Thiosemicarbazide - Carboxylic acid hydrazide - Shiff base - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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