Compound Identification
SMILES
COC1=C(OC)C=C2CN(C(CC#N)CC2=C1)C(=O)OC1=CC=C(C[C@H](NC(=O)C2=CC=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=PUHIOEXSABPBEO-QBGQUKIHSA-N
Formula
C30H28ClN3O7
Mass
578.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
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 Hippuric acids Phenylpropanoic acids Tetrahydroisoquinolines 2-halobenzoic acids and derivatives Amphetamines and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Carbamate esters Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Tetrahydroisoquinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organohalogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organochloride - 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