Compound Identification
SMILES
COC(=O)C[C@H]([NH+]1CCN(CC1)C1=CC=C(OC)C=C1)C(=O)NC1=CC=CC=C1Cl
InChIKey
InChIKey=MBHNTGGYJDWJKT-FQEVSTJZSA-O
Formula
C22H27ClN3O4
Mass
432.92
Taxonomic Classification
Taxonomy Tree
-
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
Phenylpiperazines Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Anilides Methoxyanilines Aminophenyl ethers Anisoles Dialkylarylamines Phenoxy compounds N-arylamides Methoxybenzenes Chlorobenzenes Fatty acid methyl esters Alkyl aryl ethers N-alkylpiperazines Fatty amides Aryl chlorides Quaternary ammonium salts Methyl esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - N-arylpiperazine - Phenylpiperazine - Alpha-amino acid amide - N-piperazineacetamide - Anilide - Methoxyaniline - Aminophenyl ether - Methoxybenzene - N-arylamide - Aniline or substituted anilines - Phenoxy compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - N-alkylpiperazine - Halobenzene - Chlorobenzene - Fatty acid methyl ester - Fatty acid ester - Alkyl aryl ether - 1,4-diazinane - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Piperazine - Aryl halide - Aryl chloride - Methyl ester - Quaternary ammonium salt - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available