Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CCC(=O)NC2=NN=C(S2)C2=CC=C(Br)C=C2)C(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=RIABIZCCYMHVRU-UHFFFAOYSA-N
Formula
C28H25BrCl2N4O4S
Mass
664.4
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
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Benzoyl derivatives N-arylamides Dichlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Methoxybenzene - 1,2-dichlorobenzene - N-arylamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Azole - Thiadiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - 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