Compound Identification
SMILES
CCOC1=CC=CC=C1NC(=O)N(CCOC)CCC(=O)NC1=NN=C(S1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PXVMPPGYGVEUAC-UHFFFAOYSA-N
Formula
C23H26BrN5O4S
Mass
548.46
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
N-phenylureas N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thiadiazoles Ureas Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylurea - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Urea - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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