Compound Identification
SMILES
COC1=CC=CC(\C=C\C(=O)NCC(=O)N(C)C2=C(Cl)C(COC3=C4N=C(SC4=CC=C3)C3=CC=CC=C3)=C(Cl)C=C2)=C1
InChIKey
InChIKey=DWWUNIMTAQUUTM-SAPNQHFASA-N
Formula
C33H27Cl2N3O4S
Mass
632.56
Taxonomic Classification
Taxonomy Tree
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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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Coumaric acids and derivatives Cinnamic acid amides Anilides Benzothiazoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cinnamic acid amide - Alpha-amino acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Anilide - 1,3-benzothiazole - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Phenol ether - Styrene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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