Compound Identification
SMILES
COC(=O)C(CC1=CC=CC=C1)NC(=O)NC1=CC=C(C=C1)C1OC(CSC2=NN=NN2C2=CC=C(O)C=C2)CC(O1)C1=CC=C(CO)C=C1
InChIKey
InChIKey=SLXFMHSLUQIXNM-UHFFFAOYSA-N
Formula
C36H36N6O7S
Mass
696.78
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
Alpha amino acid esters N-carbamoyl-alpha amino acids Phenyltetrazoles and derivatives Amphetamines and derivatives N-phenylureas Benzyl alcohols Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-dioxanes Heteroaromatic compounds Methyl esters Ureas Acetals Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Phenyltetrazole - Amphetamine or derivatives - N-phenylurea - Aryl thioether - Benzyl alcohol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Fatty acid ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Azole - Methyl ester - Tetrazole - Urea - Carboxylic acid ester - Carbonic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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