Compound Identification
SMILES
COC1=CC(SC2=C(C=CC=N2)C(=O)NC(CC2=CC=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=C2)C(O)=O)=C(OC)C=C1
InChIKey
InChIKey=RFOYRAADWFDNGL-UHFFFAOYSA-N
Formula
C30H25Cl2N3O6S
Mass
626.51
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
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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
Benzanilides N-acyl-alpha amino acids Diarylthioethers Phenylpropanoic acids Dimethoxybenzenes 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzamides Nicotinamides Anisoles Thiophenol ethers Dichlorobenzenes Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Aryl chlorides Vinylogous thioesters Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzanilide - Aromatic anilide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Diarylthioether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Amphetamine or derivatives - Dimethoxybenzene - P-dimethoxybenzene - Nicotinamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Benzamide - Methoxybenzene - Aryl thioether - Benzoyl - 1,3-dichlorobenzene - Phenoxy compound - Anisole - Thiophenol ether - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Vinylogous thioester - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Pyridine - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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