Compound Identification
SMILES
NC1=C(C=C(C[C@@H](OC(=O)N2CCC(CC2)N2CCC3=CC=CC=C3NC2=O)C(=O)N2CCC(CC2)C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)C=C1Cl)C(F)(F)F
InChIKey
InChIKey=YBKARNXOUHNELV-DIPNUNPCSA-N
Formula
C44H57ClF3N7O7
Mass
888.43
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 esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Trifluoromethylbenzenes N-acylpiperidines Piperidinecarboxylic acids Aniline and substituted anilines Chlorobenzenes Delta lactams Piperidinones Aryl chlorides Carbamate esters Tertiary carboxylic acid amides Trialkylamines Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Trifluoromethylbenzene - N-acyl-piperidine - Piperidinecarboxylic acid - Aniline or substituted anilines - Chlorobenzene - Delta-lactam - Halobenzene - Piperidinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Amine - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available