Compound Identification
SMILES
COC(=O)C(CSN[C@@H](CS)C(S)=O)NC(=O)C1=CC=C(C=C1)C(=O)NC(CSSN[C@@H](CS)C=O)C(=O)OC
InChIKey
InChIKey=HUTHBJOKGGTMLV-XNIRIUNOSA-N
Formula
C22H30N4O8S6
Mass
670.86
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 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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Cysteine and derivatives Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Sulfenyl compounds Organosulfenic acid amides Alkylthiols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes
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 - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - Carbodithioic acid - Carbothioic s-acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Alkylthiol - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organosulfenic acid amide - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - 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