Compound Identification
SMILES
CCN1N=C(CC2=CC(OC)=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=QPGWRXNHJFZWSD-QOCRQHEPSA-N
Formula
C35H47FN4O3
Mass
590.784
Taxonomic Classification
Taxonomy Tree
-
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
Phenylpyrrolidines D-alpha-amino acids Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines Fluorobenzenes Piperidines Aryl fluorides N-alkylpyrrolidines Heteroaromatic compounds Pyrazoles Pyrroles Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - D-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Pyrrole - Pyrazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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