Compound Identification
SMILES
CCCCCCCCCC[C@H](OS([O-])(=O)=O)[C@H](CC[C@H](CCCCCCCCCCCCC(=O)N[C@H]1CC[C@@H]2N(CCC3=CC(O)=CC(O)=C23)C1=O)OS([O-])(=O)=O)OS([O-])(=O)=O
InChIKey
InChIKey=AQPLHNTYYAMOII-IPAVHTEYSA-K
Formula
C41H67N2O16S3
Mass
940.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Tetrahydroisoquinolines Piperidinones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Delta lactams Sulfuric acid monoesters Alkyl sulfates N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Tetrahydroisoquinoline - Delta-lactam - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperidinone - Fatty amide - N-acyl-amine - Piperidine - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Fatty acyl - Organic sulfuric acid or derivatives - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available