Compound Identification
SMILES
CCOC(=O)C(CC1=CC=C(NC2=NC=CC3=C2C=NC=C3)C=C1)NC1=C(SC(C)C)C(=O)C11CCOCC1
InChIKey
InChIKey=ZSGXCSASBFKBOZ-UHFFFAOYSA-N
Formula
C30H34N4O4S
Mass
546.69
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
Alpha amino acid esters Amphetamines and derivatives Naphthyridines Aniline and substituted anilines Aminopyridines and derivatives Aralkylamines Fatty acid esters Oxanes Imidolactams Vinylogous amides Heteroaromatic compounds Thioenol ethers Carboxylic acid esters Ketones Monocarboxylic acids and derivatives Enamines Dialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Naphthyridine - Aniline or substituted anilines - Aminopyridine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Oxane - Pyridine - Benzenoid - Imidolactam - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Thioenolether - Carboxylic acid ester - Ketone - Azacycle - Sulfenyl compound - Secondary amine - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Ether - Enamine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Amine - Organic oxygen compound - Organic nitrogen 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