Compound Identification
SMILES
CC1CC(O)N(C1C1=NC(=CS1)C1=NC(=CS1)C1=C(C=CC(=N1)C1=NC(=CS1)C(O)=O)C1=NC(C(=O)NC(CC(N)=O)C2=NC(=CS2)C(=O)NC(CC2=CC=CC=C2)C(O)=O)=C(C)O1)C(=O)C(N)CC1=CC=C(O)C=C1
InChIKey
InChIKey=OTXQUHPPGYAZFY-UHFFFAOYSA-N
Formula
C50H45N11O11S4
Mass
1104.22
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
N-acyl-alpha amino acids Alpha amino acid amides Phenylpropanoic acids Beta amino acids and derivatives Amphetamines and derivatives Thiazolecarboxamides 2,4,5-trisubstituted oxazoles 2-heteroaryl carboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Aralkylamines Pyridines and derivatives Fatty amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Alkanolamines Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Beta amino acid or derivatives - Amphetamine or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-oxazole - N-acylpyrrolidine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Phenol - Aralkylamine - Fatty amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - Thiazole - Oxazole - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Amino acid - Alkanolamine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary amine - Amine - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen 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