Compound Identification
SMILES
CC[C@@H](CC(=O)N1CC(=O)NCC(CC2=C(OC)C=CC(Cl)=C2)C1=O)C1=CC(N)=C(C=C1)C(O)=O
InChIKey
InChIKey=ARJLNVZIIPKOIE-MBIQTGHCSA-N
Formula
C25H28ClN3O6
Mass
501.96
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
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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
Alpha amino acids and derivatives Aminobenzoic acids Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Benzoic acids Aniline and substituted anilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes 1,4-diazepanes Alkyl aryl ethers Chlorobenzenes N-substituted carboxylic acid imides Aryl chlorides Vinylogous amides Dicarboximides Secondary carboxylic acid amides Tertiary amines Amino acids Lactams Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Aminobenzoic acid or derivatives - Aminobenzoic acid - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Aniline or substituted anilines - Benzoyl - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Diazepane - Halobenzene - 1,4-diazepane - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Dicarboximide - Vinylogous amide - Carboxylic acid imide - Amino acid - Lactam - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Primary amine - 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