Compound Identification
SMILES
Cl.COC(=O)[C@H](CC1=CC=C(CN)C=C1)NC(=O)[C@H](CC(C)C)[C@H](CCCC1=CC=CC=C1)C(=O)NO
InChIKey
InChIKey=XTJVQOYBGXXDPY-XFDHIDHYSA-N
Formula
C28H40ClN3O5
Mass
534.09
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 N-acyl-alpha amino acids and derivatives Amphetamines and derivatives Phenylmethylamines Benzylamines Aralkylamines Fatty acid esters N-acyl amines Methyl esters Secondary carboxylic acid amides Hydroxamic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Benzylamine - Phenylmethylamine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Hydroxamic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Carbonyl group - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - 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