Compound Identification
SMILES
COC1=CC=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NC2=CC=C(SC(C)C(=O)NC3=C(C)C=C(C=C3)[N+]([O-])=O)C=C2)C=C1
InChIKey
InChIKey=LSBUHLSSZWEGII-COEJQBHMSA-N
Formula
C33H30N4O6S
Mass
610.69
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Cinnamic acid amides Alpha amino acid amides Anilides Nitrobenzenes Nitrotoluenes Benzoyl derivatives Anisoles Thiophenol ethers Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - Nitrotoluene - Phenol ether - Thiophenol ether - Phenoxy compound - N-arylamide - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Alkylarylthioether - Toluene - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Thioether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available