Compound Identification
SMILES
CCOC(=O)[C@H](CSSC[C@H](NC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)C(=O)OCC)NC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
InChIKey
InChIKey=VOFWZGSAAOBJBK-KYJUHHDHSA-N
Formula
C40H60N2O8S2
Mass
761.05
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
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Cysteine and derivatives Phenylpropanes Benzoyl derivatives Phenols Dicarboxylic acids and derivatives Secondary carboxylic acid amides Dialkyldisulfides Carboxylic acid esters Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - Phenylpropane - Benzoyl - Phenol - Dicarboxylic acid or derivatives - Carboxamide group - Dialkyldisulfide - Carboxylic acid ester - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen 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