Compound Identification
SMILES
ClC1=CC=CC(CN2CC[C@H](N(CCNC3=CC=CC=N3)CC3=CN=CN3CC3=CC=C(C=C3)C#N)C2=O)=C1
InChIKey
InChIKey=CXWDADAHQVTUPG-NDEPHWFRSA-N
Formula
C30H30ClN7O
Mass
540.07
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Benzonitriles Aminopyridines and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Pyrrolidine-2-ones Imidolactams N-alkylpyrrolidines N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzonitrile - Aminopyridine - Halobenzene - Chlorobenzene - Aralkylamine - N-substituted imidazole - Pyridine - Pyrrolidone - 2-pyrrolidone - Aryl chloride - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-alkylpyrrolidine - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen 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