Compound Identification
SMILES
CCOC[C@H](OCC1=CC(=C(C=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)C1=CC=CC=C1C)C1=CC=C(CN(C)C)S1
InChIKey
InChIKey=ZCGQJKZUVRRWAI-NSOVKSMOSA-N
Formula
C31H40N2O7S2
Mass
616.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Biphenyls and derivatives Benzylethers Benzoyl derivatives 2,5-disubstituted thiophenes Toluenes Thia fatty acids Aralkylamines Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Biphenyl - Alpha-amino acid or derivatives - Benzylether - Benzoyl - Aralkylamine - 2,5-disubstituted thiophene - Thia fatty acid - Toluene - Fatty acyl - Heteroaromatic compound - Sulfone - Sulfonyl - Thiophene - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Amine - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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