Compound Identification
SMILES
OC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)NC(=O)[C@@H]1CC2=CC3=C(OC(C(=O)N3)C3=CC=C(OCC4=CC(Cl)=C(Cl)N=C4)C=C3)C=C2CN1C(=O)C1=CC=CS1
InChIKey
InChIKey=AWNUYDZNEQFJNN-LFOSQWHESA-N
Formula
C45H33Cl2N5O7S
Mass
858.75
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
Biphenylcarbonitriles N-acyl-L-alpha-amino acids Alpha amino acid amides Benzoxazinones Phenylpropanoic acids Tetrahydroisoquinolines Amphetamines and derivatives Benzomorpholines 2-heteroaryl carboxamides Thiophene carboxamides Benzonitriles Polyhalopyridines Phenoxy compounds Phenol ethers 2-halopyridines Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids Tertiary amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Nitriles Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Biphenylcarbonitrile - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Benzoxazinone - Benzoxazine - Tetrahydroisoquinoline - Benzomorpholine - Amphetamine or derivatives - 2-heteroaryl carboxamide - Polyhalopyridine - Benzonitrile - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenol ether - Phenoxy compound - 2-halopyridine - Alkyl aryl ether - Benzenoid - Oxazinane - Monocyclic benzene moiety - Pyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carboxylic acid - Ether - Carbonitrile - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - 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