Compound Identification
SMILES
CCCCOC(=O)C(O)C(NC(=O)C1=CC=C2CN(CC(=O)N12)S(=O)(=O)CC1=CC=CC=C1)C1CCC(N)CC1
InChIKey
InChIKey=RFAVPVOPIIHJKP-UHFFFAOYSA-N
Formula
C28H38N4O7S
Mass
574.69
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
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Alpha amino acids and derivatives 2-heteroaryl carboxamides Pyrrole carboxamides Cyclohexylamines Fatty acid esters Organosulfonamides Organic sulfonamides Monosaccharides Benzene and substituted derivatives Substituted pyrroles Sulfonyls Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Cyclohexylamine - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Substituted pyrrole - Monosaccharide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Primary amine - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available