Compound Identification
SMILES
CCC1=C(C=CC(CC(NC(C)=O)C(=O)NCCCCOC2=C(C(O)=O)C(O)=CC(Cl)=C2)=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O
InChIKey
InChIKey=BVWSXHNWLNETMO-UHFFFAOYSA-N
Formula
C33H34ClN3O11
Mass
684.1
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine 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
Phenylalanine and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Acylaminobenzoic acid and derivatives Alpha amino acid amides Halobenzoic acids Amphetamines and derivatives Salicylic acids 4-halobenzoic acids Anilides Benzoic acids Benzoyl derivatives M-chlorophenols Phenol ethers Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Fatty amides Vinylogous acids Vinylogous amides Acetamides Tertiary carboxylic acid amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Amphetamine or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Anilide - 3-halophenol - 3-chlorophenol - Benzoyl - Phenoxy compound - Phenol ether - Halobenzene - Alkyl aryl ether - Chlorobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Fatty amide - Aryl halide - Fatty acyl - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available