Compound Identification
SMILES
COC1=C(NC2=[NH+][C@]3(N=C(N)N2)C(=O)NC2=CC=CC=C32)C=C(C)C=C1
InChIKey
InChIKey=BIUGDPMHGHESGH-SFHVURJKSA-O
Formula
C18H19N6O2
Mass
351.389
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
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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
Alpha amino acids and derivatives
Alternative Parents
Indolines Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Toluenes Aminotriazines 1,3,5-triazines Secondary carboxylic acid amides Lactams Guanidines Carboximidamides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Methoxyaniline - Indole or derivatives - Dihydroindole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminotriazine - Toluene - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Carboxamide group - Guanidine - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Carboximidamide - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available