Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C1=CC=C(C=C1)C1OC(CN2CCN(CC2)C2=NC=CC=N2)CC(O1)C1=CC=C(CO)C=C1
InChIKey
InChIKey=HVIVQDPFNMJDKN-UHFFFAOYSA-N
Formula
C49H52N6O6S
Mass
853.05
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
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Subclass
Amino acids, peptides, and analogues
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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
Biphenyls and derivatives Alpha amino acid amides N-arylpiperazines P-toluenesulfonamides Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzyl alcohols Dialkylarylamines Aralkylamines Aminopyrimidines and derivatives N-alkylpiperazines Fatty amides Organosulfonamides 1,3-dioxanes Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Acetals Oxacyclic compounds Azacyclic compounds Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Biphenyl - N-arylpiperazine - P-toluenesulfonamide - Amphetamine or derivatives - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Benzyl alcohol - Dialkylarylamine - Aminopyrimidine - Toluene - N-alkylpiperazine - Aralkylamine - Meta-dioxane - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - Piperazine - Pyrimidine - Organosulfonic acid amide - Fatty acyl - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organopnictogen compound - Organosulfur compound - Amine - Primary alcohol - 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