Compound Identification
SMILES
CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2CN(C[C@@H]2C2=CC=CC=C2)[C@H](C(C)C)C(O)=O)CC1
InChIKey
InChIKey=AEIOWUHRHMTSSU-QTKNLHBISA-N
Formula
C33H44N4O2
Mass
528.741
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
-
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 Aralkylamines Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Pyrroles Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - D-alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Azole - Pyrazole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Amino acid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - 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