Compound Identification
SMILES
COC(=O)CCC1=CC=C(CN2C=NC=C2CNC2CCOC3=C(C=CC=C23)C(=O)NC(CC2=CC=C(Cl)C=C2)C(N)=O)C=C1
InChIKey
InChIKey=KHLLAPSSCAEPRI-UHFFFAOYSA-N
Formula
C34H36ClN5O5
Mass
630.14
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
-
Level 6
Alpha amino acids and derivatives
-
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 1-benzopyrans Amphetamines and derivatives Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Fatty acid esters Aryl chlorides N-substituted imidazoles Fatty amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Dialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Chromane - Benzopyran - 1-benzopyran - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-substituted imidazole - Benzenoid - Methyl ester - Azole - Heteroaromatic compound - Imidazole - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organochloride - Organohalogen compound - Organooxygen compound - Organonitrogen 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