Compound Identification
SMILES
Cl.CNC(C(C)CC[C@H](NC(=O)C1CCC(CC1)NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=MBOPXVCWRSHSSY-KYMYALNZSA-N
Formula
C28H37ClF3N3O5S
Mass
620.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Delta amino acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids Benzenesulfonamides Benzenesulfonyl compounds Medium-chain fatty acids Aralkylamines Halogenated fatty acids Methyl-branched fatty acids Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Amino acids Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Delta amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Medium-chain fatty acid - Aralkylamine - Methyl-branched fatty acid - Halogenated fatty acid - Branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Hydrochloride - Organofluoride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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