Compound Identification
SMILES
CC1=CC=CC=C1N1C=CC(CN2CCN(C[C@@H](O)C[C@@H](CC3=CN=CC=C3)C(=O)N[C@@H]3C(O)COC4=CC=CC=C34)[C@@H](C2)C(=O)NCC(F)(F)F)=C1
InChIKey
InChIKey=CEXRANZMBATAHS-BNHIVPDLSA-N
Formula
C39H45F3N6O5
Mass
734.821
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
-
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
Phenylpyrroles 1-benzopyrans Piperazine carboxamides Alkyl aryl ethers Aralkylamines N-alkylpiperazines Toluenes N-acyl amines Pyridines and derivatives Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - 1-phenylpyrrole - Chromane - Benzopyran - 1-benzopyran - Piperazine-2-carboxamide - Alkyl aryl ether - Toluene - N-alkylpiperazine - Aralkylamine - Fatty acyl - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Pyridine - Substituted pyrrole - Fatty amide - N-acyl-amine - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Alcohol - 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