Compound Identification
SMILES
NC1CCN(CC2=C3C(NC4=CC(O)=CC=C4)NCNN3C=C2)CC1C(N)=O
InChIKey
InChIKey=PTKVVQBJZWCQCT-UHFFFAOYSA-N
Formula
C19H27N7O2
Mass
385.472
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Piperidinecarboxamides Aniline and substituted anilines Phenylalkylamines m-Aminophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aminopiperidines 1,2,4-triazines Substituted pyrroles Heteroaromatic compounds Primary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Aminophenol - M-aminophenol - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 4-aminopiperidine - Phenol - Aralkylamine - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Triazine - Benzenoid - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Primary carboxylic acid amide - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Primary amine - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available