Compound Identification
SMILES
CSC1=NC=C(Cl)C(=N1)C(=O)NC1=CC=C(CC(NC(=O)C2=C(C=CC(=C2)N(CCNC(C)C)C(C)C)[N+]([O-])=O)C(O)=O)C=C1
InChIKey
InChIKey=YRYADTIIEOCJER-UHFFFAOYSA-N
Formula
C30H36ClN7O6S
Mass
658.17
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
Aromatic anilides Hippuric acids N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Phenylisopropylamines Aminobenzamides Pyrimidinecarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds 2-heteroaryl carboxamides Halopyrimidines Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Dialkylamines Carboxylic acids Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Aromatic anilide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - 3-phenylpropanoic-acid - Phenylisopropylamine - Aminobenzamide - Aminobenzoic acid or derivatives - Amphetamine or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Tertiary amine - Amino acid - Thioether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Organic zwitterion - Organic salt - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - 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