Compound Identification
SMILES
CC1=C(C=NC2=CC=C(C=C2)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)N=C2C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=CC(=C1)N(CCC#N)CCC#N
InChIKey
InChIKey=HJKNVQLTUYRFRO-UHFFFAOYSA-N
Formula
C43H36ClN11O4
Mass
806.28
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
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aniline and substituted anilines Aminotoluenes Chlorobenzenes Imidazolinones Aryl chlorides Carboxylic acid hydrazides Shiff bases Amidrazones Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidazolinone - Benzenoid - Monocyclic benzene moiety - 2-imidazoline - Shiff base - C-nitro compound - Carboxylic acid amidrazone - Tertiary amine - Organic nitro compound - Carboxylic acid hydrazide - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Cyanide - Amine - Organic salt - Carbonyl group - Organic oxygen compound - Organic zwitterion - Imine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - 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