Compound Identification
SMILES
CCS(=O)(=O)C[C@H](CC1CCCCC1)NCC1=CC(=C(C=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)C1=CC=CC=C1C
InChIKey
InChIKey=ASWWGQSASVXGDY-SVEHJYQDSA-N
Formula
C31H44N2O7S2
Mass
620.82
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
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Biphenyls and derivatives Benzoyl derivatives Benzylamines Phenylmethylamines Thia fatty acids Toluenes Aralkylamines Sulfones Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Toluene - Thia fatty acid - Fatty acyl - Sulfonyl - Sulfone - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available