Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=CC=CS2)C(=O)CN(C2CC2)C(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BKXXUZYVQFKDGE-UHFFFAOYSA-N
Formula
C27H28ClN3O6S
Mass
558.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
4-halobenzoic acids and derivatives Alpha amino acids and derivatives Dimethoxybenzenes Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - 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