Compound Identification
SMILES
COC(=O)C1=C(CCC2=CC=CC=C2CN2CCOCC2)NC(CC(=O)N2CCN(CC2)C2CC3CCC(C2)N3C)=C(C1C1=C(Cl)C=CC=C1Cl)C(=O)OC
InChIKey
InChIKey=AFORYBKHEBBSDB-UHFFFAOYSA-N
Formula
C42H53Cl2N5O6
Mass
794.82
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
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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
Tropane alkaloids Dihydropyridinecarboxylic acids and derivatives Benzylamines Dichlorobenzenes Phenylmethylamines N-alkylpiperazines Aminopiperidines Aralkylamines Dicarboxylic acids and derivatives Aryl chlorides Morpholines N-alkylpyrrolidines Enoate esters Tertiary carboxylic acid amides Vinylogous amides Methyl esters Trialkylamines Azacyclic compounds Enamines Dialkyl ethers Oxacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Dihydropyridinecarboxylic acid derivative - Tropane alkaloid - Phenylmethylamine - 1,3-dichlorobenzene - Benzylamine - 4-aminopiperidine - Chlorobenzene - Aralkylamine - Dihydropyridine - Halobenzene - N-alkylpiperazine - N-alkylpyrrolidine - Morpholine - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,4-diazinane - Aryl halide - Oxazinane - Piperidine - Piperazine - Aryl chloride - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Enamine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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