Compound Identification
SMILES
CCN1N=C(CC2=CC=C(C=C2)S(=O)(=O)C2=CC=CC=C2)C=C1C1CCN(C[C@H]2CN(C[C@@H]2C2=CC(F)=CC=C2)[C@@H](C(O)=O)C(C)(C)C)CC1
InChIKey
InChIKey=GVWWVDUMZPBPEO-MKJJNCKNSA-N
Formula
C40H49FN4O4S
Mass
700.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Phenylpyrrolidines D-alpha-amino acids Benzenesulfonyl compounds Aralkylamines Fluorobenzenes Piperidines Aryl fluorides N-alkylpyrrolidines Sulfones Pyrroles Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - D-alpha-amino acid - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Pyrrolidine - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - 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