Compound Identification
SMILES
COC1=C(OC(C)C)C(Br)=CC(C=NNC(=O)CCNC(=O)C2=CC(Cl)=C(Cl)C=C2)=C1
InChIKey
InChIKey=AJMTVXJFKBAWQS-UHFFFAOYSA-N
Formula
C21H22BrCl2N3O4
Mass
531.23
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
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Benzoyl - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Ether - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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