Compound Identification
SMILES
CC(SC1COC(OC1)\C=C\C=C\C1=C(F)C=C(C=C1)C#N)C(CN1C=NC=N1)(OC(=O)OCOC(=O)CCC(=O)NCCC(O)=O)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=XCPXDPZQKOYJKX-ZUVMSYQZSA-N
Formula
C36H36F3N5O10S
Mass
787.76
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Benzyloxycarbonyls Phenylpropanes Benzonitriles Styrenes Fatty acid esters Fluorobenzenes 1,3-dioxanes Aryl fluorides Carbonic acid diesters Dicarboxylic acids and derivatives N-acyl amines Heteroaromatic compounds Triazoles Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Acetals Sulfenyl compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzyloxycarbonyl - Phenylpropane - Styrene - Benzonitrile - Halobenzene - Fluorobenzene - Fatty acid ester - N-acyl-amine - Meta-dioxane - Aryl fluoride - Fatty amide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Carbonic acid diester - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Thioether - Carbonitrile - Nitrile - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen 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