Compound Identification
SMILES
CC(C)(C)NC(=O)C(N(C[C@H]1CC[C@H](O1)[C@@H]1CC[C@H](CO)O1)C(=O)C1=CC=C(C=C1)C1CCCCC1)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MXVHWWGBJOQSNI-RJDPJQAUSA-N
Formula
C41H52N2O5
Mass
652.876
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
Biphenyls and derivatives Phenylacetamides Alpha amino acids and derivatives Benzoyl derivatives Tertiary carboxylic acid amides Oxolanes Tertiary amines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Phenylacetamide - Benzoyl - Oxolane - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Amine - Primary alcohol - 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