Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=C(C)C=CS2)C(=O)CN(CC=C)C(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=RXRGUJYKQILBJE-UHFFFAOYSA-N
Formula
C29H33N3O6S
Mass
551.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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,N-dialkyl-p-toluamides Alpha amino acids and derivatives Dimethoxybenzenes Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-p-toluamide - Dimethoxybenzene - Alpha-amino acid or derivatives - O-dimethoxybenzene - Nitrobenzene - Nitrotoluene - P-toluamide - Toluamide - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Toluene - Alkyl aryl ether - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic 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