Compound Identification
SMILES
CC(C)(C)OC1=CC=C(CC(N)C(=O)NC2=CC=CC(=C2)C2=CSC(SCC(=O)NC3CCN(CC4=CC(Cl)=C(Cl)C=C4)CC3)=N2)C=C1
InChIKey
InChIKey=PTTIBLOGAZJERT-UHFFFAOYSA-N
Formula
C36H41Cl2N5O3S2
Mass
726.78
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
-
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-benzylpiperidines Alpha amino acid amides Amphetamines and derivatives Anilides Phenylmethylamines Phenoxy compounds Phenol ethers N-arylamides Dichlorobenzenes Benzylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Alkylarylthioethers Aralkylamines Aryl chlorides Fatty amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-benzylpiperidine - Benzylpiperidine - Alpha-amino acid amide - Amphetamine or derivatives - Anilide - Phenoxy compound - Aryl thioether - Benzylamine - 1,2-dichlorobenzene - Phenol ether - Phenylmethylamine - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Piperidine - Fatty acyl - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thioether - Ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary amine - Amine - Primary aliphatic amine - Organohalogen compound - Organic oxygen compound - Organochloride - 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