Compound Identification
SMILES
CCCCO[C@@H](CC[C@H]([C@H](NC1=CC=C(SC(C)=O)C=C1)C1=CC=C(F)C=C1)C(=O)N1[C@H](COC1=O)C1=CC=CC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=ANAOTVJKJNCCHB-GOFGAPPUSA-N
Formula
C39H40F2N2O5S
Mass
686.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Thiophenol esters Benzylethers Aniline and substituted anilines Phenylalkylamines Aryl thioethers Secondary alkylarylamines Fluorobenzenes Aryl fluorides Oxazolidinones Carbamate esters Dicarboximides Carbothioic S-esters Thioesters Sulfenyl compounds Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organofluorides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzylether - Thiophenol ester - Aryl thioether - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Oxazolidinone - Aryl fluoride - Dicarboximide - Oxazolidine - Carbamic acid ester - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary amine - Thiocarboxylic acid or derivatives - Oxacycle - Azacycle - Sulfenyl compound - Dialkyl ether - Organoheterocyclic compound - Ether - Organopnictogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic 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