Compound Identification
SMILES
CC(C)[C@H](NC(=O)OCC1=CC=CC(C)=N1)C(=O)N[C@H](CC1=CC=CC=C1)[C@@H](O)C(F)(F)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)OCC1=CC=CC(C)=N1)C(C)C
InChIKey
InChIKey=XZVPOEFXFUMVSI-GPARJJCGSA-N
Formula
C44H54F2N6O7
Mass
816.948
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
Alpha amino acids and derivatives
- Level 7 Valine and derivatives
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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
Valine and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives Methylpyridines N-acyl amines Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Secondary carboxylic acid amides Fluorohydrins Secondary alcohols Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Methylpyridine - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Halohydrin - Secondary carboxylic acid amide - Secondary alcohol - Fluorohydrin - Carboxamide group - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available