Compound Identification
SMILES
O[C@@H](C[C@@H](CC1=NN=C(O1)C1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)COC2=CC=CC=C12)CN1CCN(CC2=CC=C(O2)C2=CC=C(Cl)C=C2)C[C@H]1C(=O)NCC(F)(F)F
InChIKey
InChIKey=CSSRPUUGHFUJEL-SLPOKCQDSA-N
Formula
C41H42ClF3N6O7
Mass
823.27
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
1-benzopyrans Piperazine carboxamides Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides N-acyl amines 1,3,4-oxadiazoles Furans Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organofluorides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Chromane - Benzopyran - 1-benzopyran - Piperazine-2-carboxamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Fatty acyl - Benzenoid - Oxadiazole - Furan - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available