Compound Identification
SMILES
CCCCC1=CC(=O)OC2=CC(OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)=C(Cl)C=C12
InChIKey
InChIKey=KHPSVQBDUNDOFD-UHFFFAOYSA-N
Formula
C27H30ClNO6
Mass
499.99
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
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
Alpha amino acid esters Coumarins and derivatives 1-benzopyrans Amphetamines and derivatives Pyranones and derivatives Fatty acid esters Aryl chlorides Carbamate esters Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Coumarin - Amphetamine or derivatives - 1-benzopyran - Benzopyran - Fatty acid ester - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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