Compound Identification
SMILES
C[N+](C)(C)C1=CC=C(NC2=NC(NC(CCCN=C(N)N)C(O)=O)=NC(Cl)=N2)C=C1
InChIKey
InChIKey=RXNHDIZJINDWAN-UHFFFAOYSA-O
Formula
C18H27ClN9O2
Mass
436.92
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
-
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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Guanidines Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Heteroaromatic compound - Guanidine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic 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