Compound Identification
SMILES
COC(=O)C1=C(OC(=O)C(F)(F)F)C=CC=C1OCCCCNCC1(CC2=CC=C(C=C2)C2CC(=O)NS2(=O)=O)CCC(=O)N1
InChIKey
InChIKey=VASAOPQWHWKHPS-UHFFFAOYSA-N
Formula
C29H32F3N3O9S
Mass
655.64
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
-
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
Direct Parent
Delta amino acids and derivatives
Alternative Parents
Acylsalicylic acids and derivatives Phenol esters Amphetamines and derivatives Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Gamma sultams Aralkylamines Pyrrolidine-2-ones Organosulfonic acids and derivatives Alpha-halocarboxylic acid derivatives Methyl esters Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Delta amino acid or derivatives - Acylsalicylic acid or derivatives - Amphetamine or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Gamma-sultam - Aralkylamine - Thiazolidinedione - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Methyl ester - Thiazolidine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Secondary aliphatic amine - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors
Not available